Phenylpropanoids and polyketides

Alfa Aesar™ (+/-)-3-Phenyllactic acid, 98+%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid, 3-phenyllactic acid, dl-beta-phenyllactic acid, b-phenyllactic acid, 2-hydroxy-3-phenyl-propionic acid, 3-phenyllactate, 2-hydroxy-3-phenylpropionic acid, +--3-phenyllactic acid, dl-phenyllactic acid, beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Alfa Aesar™

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.385 MDL Number: MFCD00008365 InChI Key: VFLDPWHFBUODDF-FCXRPNKRSA-N Synonym: curcumin, diferuloylmethane, natural yellow 3, turmeric yellow, turmeric, curcuma, kacha haldi, gelbwurz, halad, curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

3-Cyanocoumarin, 97%, ACROS Organics™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.15 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin, 2-oxo-2h-chromene-3-carbonitrile, coumarin-3-carbonitrile, 2h-1-benzopyran-3-carbonitrile, 2-oxo, 2-oxo-2h-1-benzopyran-3-carbonitrile, coumarin, 3-cyano-7ci,8ci, 3-cyano-coumarin, pubchem8675, acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxochromene-3-carbonitrile SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C#N

Alfa Aesar™ Coniferyl alcohol, 98%

CAS: 458-35-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002922 InChI Key: JMFRWRFFLBVWSI-NSCUHMNNSA-N Synonym: coniferyl alcohol, coniferol, coniferylalcohol, 4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol, gamma-hydroxyisoeugenol, trans-coniferyl alcohol, e-coniferyl alcohol, 4-3-hydroxy-1-propenyl-2-methoxyphenol, 3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol, 4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol PubChem CID: 1549095 ChEBI: CHEBI:17745 IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol SMILES: COC1=C(C=CC(=C1)C=CCO)O

Ibuprofen, 99%, ACROS Organics™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.27 InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N Synonym: ibuprofen, 2-4-isobutylphenyl propanoic acid, motrin, brufen, nurofen, advil, dolgit, liptan, nuprin, anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Alfa Aesar™ 2-Bromo-4,5-dimethoxycinnamic acid, 97%

CAS: 151539-52-5 Molecular Formula: C11H11BrO4 Molecular Weight (g/mol): 287.109 MDL Number: MFCD00017614 InChI Key: MSJCWIFRXCLULX-ONEGZZNKSA-N Synonym: 2-bromo-4,5-dimethoxycinnamic acid, 6-bromo-3,4-dimethoxycinnamic acid, 2e-3-2-bromo-4,5-dimethoxyphenyl prop-2-enoic acid, e-3-2-bromo-4,5-dimethoxyphenyl acrylic acid, 3-2-bromo-4,5-dimethoxyphenyl acrylic acid, 2-propenoic acid, 3-2-bromo-4,5-dimethoxyphenyl, e-3-2-bromo-4,5-dimethoxyphenyl prop-2-enoic acid, 2e-3-2-bromo-4,5-dimethoxyphenyl-2-propenoic acid PubChem CID: 735828 IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OC

Alfa Aesar™ 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%

CAS: 1135-23-5 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00016558 InChI Key: BOLQJTPHPSDZHR-UHFFFAOYSA-N Synonym: 3-4-hydroxy-3-methoxyphenyl propanoic acid, 3-4-hydroxy-3-methoxyphenyl propionic acid, dihydroferulic acid, hydroferulic acid, dihydroconiferylic acid, unii-o01rnc700m, benzenepropanoic acid, 4-hydroxy-3-methoxy, 3-4-hydroxymethyl propionic acid, .beta.-4-hydroxy-3-methoxyphenyl propionic acid, 3-4-hydroxy-3-methoxy-phenyl propanoic acid PubChem CID: 14340 ChEBI: CHEBI:86612 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O

Alfa Aesar™ (R)-3-(Boc-amino)-3-(2-bromophenyl)propionic acid, 98%

CAS: 500789-07-1 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD03427961 InChI Key: JLEZYQLFLYPMMA-LLVKDONJSA-N Synonym: r-3-2-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid, boc-r-3-amino-3-2-bromophenyl propionic acid, r-3-boc-amino-3-2-bromophenyl propionic acid, boc-s-3-amino-3-2-bromophenyl-propionic acid, 3r-3-2-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid, boc-d-b-phe 2-br-oh, boc-d-?-phe 2-br-oh, boc-d-beta-phe 2-br-oh, boc-phg 2-br-c*ch2 oh, boc-r-2-bromo-beta-phe-oh PubChem CID: 2761725 IUPAC Name: (3R)-3-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1Br

Alfa Aesar™ 3-Fluoro-5-(trifluoromethoxy)cinnamic acid, 97%

CAS: 1353001-72-5 Molecular Formula: C10H6F4O3 Molecular Weight (g/mol): 250.149 MDL Number: MFCD18783231 InChI Key: KCORPQZTOLVNPS-OWOJBTEDSA-N Synonym: 3-fluoro-5-trifluoromethoxy cinnamic acid, 2e-3-3-fluoro-5-trifluoromethoxy phenyl prop-2-enoic acid, 3-3-fluoro-5-trifluoromethoxy phenyl acrylic acid PubChem CID: 66523562 IUPAC Name: (E)-3-[3-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)C=CC(=O)O

3-[3-Methyl-5-(trifluoromethoxy)phenyl]propionic acid, 97%, Alfa Aesar™

CAS: 916420-57-0 Molecular Formula: C11H11F3O3 Molecular Weight (g/mol): 248.201 MDL Number: MFCD09025376 InChI Key: LEZTWHDBDSJSTN-UHFFFAOYSA-N Synonym: 3-3-methyl-5-trifluoromethoxy phenyl propionic acid, 3-3-methyl-5-trifluoromethoxy phenyl propanoic acid, 3-5-methyl-3-trifluoromethoxy phenyl propanoic acid PubChem CID: 46737543 IUPAC Name: 3-[3-methyl-5-(trifluoromethoxy)phenyl]propanoic acid SMILES: CC1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O

Alfa Aesar™ 3-(4-Carboxyphenyl)propionic acid, 98%

CAS: 38628-51-2 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00016560 InChI Key: QSPCOYVUYYFWAU-UHFFFAOYSA-N Synonym: 4-2-carboxyethyl benzoic acid, 3-4-carboxyphenyl propionic acid, 3-4-carboxyphenyl propanoic acid, benzenepropanoic acid, 4-carboxy, pubchem19268, acmc-1ctf7, 4-carboxyhydrocinnamic acid, 4-carboxybenzenepropionic acid, 4-2-carboxyethyl benzoicacid, carboxyphenylpropionicacid; 985 PubChem CID: 854054 IUPAC Name: 4-(2-carboxyethyl)benzoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)C(=O)O

Alfa Aesar™ 2-Methoxy-5-(trifluoromethyl)cinnamic acid, 97%

CAS: 773133-16-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.185 MDL Number: MFCD06205858 InChI Key: FAXJHQWJVWEASH-GORDUTHDSA-N Synonym: 2e-3-2-methoxy-5-trifluoromethyl phenyl prop-2-enoic acid, 2-methoxy-5-trifluoromethyl cinnamic acid, e-3-5-trifluoromethyl-2-methoxyphenyl acrylic PubChem CID: 46737665 IUPAC Name: (E)-3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C(F)(F)F)C=CC(=O)O

Alfa Aesar™ 3-(3-Hydroxyphenyl)propionic acid, 98+%

CAS: 621-54-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016554 InChI Key: QVWAEZJXDYOKEH-UHFFFAOYSA-N Synonym: 3-3-hydroxyphenyl propanoic acid, 3-3-hydroxyphenyl propionic acid, dihydro-3-coumaric acid, benzenepropanoic acid, 3-hydroxy, 3-m-hydroxyphenyl propionic acid, 3-hydroxybenzenepropanoic acid, 3-hydroxyphenylpropionic acid, m-hydroxyphenylpropionic acid, beta-m-hydroxyphenyl propionic acid, hydrocinnamic acid, m-hydroxy PubChem CID: 91 ChEBI: CHEBI:1427 IUPAC Name: 3-(3-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC(=C1)O)CCC(=O)O

trans-4-Methoxycinnamaldehyde, 98%, ACROS Organics™

CAS: 24680-50-0 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00017343 InChI Key: AXCXHFKZHDEKTP-NSCUHMNNSA-N Synonym: 4-methoxycinnamaldehyde, 3-4-methoxyphenyl acrylaldehyde, p-methoxycinnamaldehyde, e-3-4-methoxyphenyl acrylaldehyde, 3-4-methoxyphenyl-2-propenal, trans-4-methoxycinnamaldehyde, p-methoxy cinnamaldehyde, p-methoxycinnamic aldehyde, trans-p-methoxycinnamaldehyde, cinnamaldehyde, p-methoxy PubChem CID: 641294 ChEBI: CHEBI:27952 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enal SMILES: COC1=CC=C(C=C1)C=CC=O

DL-2-Benzylserine, 97%, ACROS Organics™

CAS: 4740-47-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD01863305 InChI Key: ZMNNAJIBOJDHAF-JTQLQIEISA-N Synonym: dl-2-benzylserine, 2-amino-3-hydroxy-2-benzylpropanoic acid, alpha-benzyl-dl-serine PubChem CID: 7010088 IUPAC Name: (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid SMILES: C1=CC=C(C=C1)CC(CO)(C(=O)O)N

Alfa Aesar™ 2,4,5-Trifluorocinnamic acid, 97+%

CAS: 247170-17-8 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD00061211 InChI Key: KFVQEUPEGKJFCW-OWOJBTEDSA-N Synonym: 2,4,5-trifluorocinnamic acid, 3-2,4,5-trifluorophenyl acrylic acid, 2e-3-2,4,5-trifluorophenyl prop-2-enoic acid, 3-2,4,5-trifluoro-phenyl-acrylic acid, 2,4,5-trifluorocinnamicacid, pubchem7388, e-3-2,4,5-trifluorophenyl acrylicacid, e-3-2,4,5-trifluorophenyl-2-propenoic acid, e-3-2,4,5-trifluorophenyl prop-2-enoic acid, e-3-2,4,5-tris fluoranyl phenyl prop-2-enoic acid PubChem CID: 5708777 IUPAC Name: (E)-3-(2,4,5-trifluorophenyl)prop-2-enoic acid SMILES: C1=C(C(=CC(=C1F)F)F)C=CC(=O)O

Pentafluorophenyl 4-(1,3-oxazol-5-yl)benzoate, 97%, Maybridge™

CAS: 898288-91-0 Molecular Formula: C16H6F5NO3 Molecular Weight (g/mol): 355.22 MDL Number: MFCD09025822 InChI Key: FWUPBFHGEDUEID-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-1,3-oxazol-5-yl benzoate, 2,3,4,5,6-pentafluorophenyl 4-1,3-oxazol-5-yl benzoate, perfluorophenyl 4-oxazol-5-yl benzoate, 4-5-oxazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester, benzoic acid,4-5-oxazolyl-, 2,3,4,5,6-pentafluorophenyl ester, 2,3,4,5,6-pentakis fluoranyl phenyl 4-1,3-oxazol-5-yl benzoate PubChem CID: 18525706 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(1,3-oxazol-5-yl)benzoate SMILES: C1=CC(=CC=C1C2=CN=CO2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

Alfa Aesar™ 3-Bromo-4-fluorocinnamic acid, 98%

CAS: 160434-49-1 Molecular Formula: C9H6BrFO2 Molecular Weight (g/mol): 245.047 MDL Number: MFCD00143095 InChI Key: ZNIGVADAKXOMQH-DUXPYHPUSA-N Synonym: 3-bromo-4-fluorocinnamic acid, 2e-3-3-bromo-4-fluorophenyl prop-2-enoic acid, e-3-3-bromo-4-fluorophenyl acrylic acid, 3-3-bromo-4-fluoro-phenyl-acrylic acid, 3-3-bromo-4-fluorophenyl acrylic acid, pubchem3228, 2e-3-3-bromo-4-fluorophenyl acrylic acid, rarechem bk hw 0193, timtec-bb sbb003187, attercop-chm at116391 PubChem CID: 688312 IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Br)F

Alfa Aesar™ 3-Methoxycinnamic acid, predominantly trans, 98+%

CAS: 6099-04-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004386 InChI Key: LZPNXAULYJPXEH-AATRIKPKSA-N Synonym: 3-methoxycinnamic acid, 3-3-methoxyphenyl acrylic acid, 2e-3-3-methoxyphenyl acrylic acid, 2e-3-3-methoxyphenyl prop-2-enoic acid, trans-3-methoxycinnamic acid, m-methoxycinnamic acid, trans-3-3-methoxyphenyl acrylic acid, e-3-3-methoxyphenyl acrylic acid, 2-propenoic acid, 3-3-methoxyphenyl-, 2e, trans-m-methoxycinnamic acid PubChem CID: 637668 IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC(=C1)C=CC(=O)O

Doxorubicin Hydrochloride, Fisher BioReagents

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.983 InChI Key: MWWSFMDVAYGXBV-BXPPNZEESA-N Synonym: doxorubicin hydrochloride, adriamycin, doxorubicin hcl, adriacin, adriblastina, rubex, adriamycin hydrochloride, adriblastin, adriamycin pfs PubChem CID: 129626538 IUPAC Name: (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl

Alfa Aesar™ 7-Amino-4-methylcoumarin, 98%

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin, coumarin 120, 7-amino-4-methyl-2h-chromen-2-one, 2h-1-benzopyran-2-one, 7-amino-4-methyl, coumarin, 7-amino-4-methyl, 4-methyl-7-aminocoumarin, 7-amino-4-methyl-chromen-2-one, unii-ocy3jct44x, ccris 4961, ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N

Alfa Aesar™ 4'-Hydroxyflavanone, 98%

CAS: 6515-37-3 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017705 InChI Key: ZLHVIYHWWQYJID-UHFFFAOYSA-N Synonym: 4'-hydroxyflavanone, 2-4-hydroxyphenyl chroman-4-one, 4'-hydroxy flavanone, 2,3-dihydro-2-4-hydroxyphenyl-4h-1-benzopyran-4-one, 2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one, chembl73933, 4h-1-benzopyran-4-one, 2,3-dihydro-2-4-hydroxyphenyl, flavanone, 4'-hydroxy, 4-hydroxyflavanone, 4'-hydroxyflavaone PubChem CID: 165506 ChEBI: CHEBI:34361 IUPAC Name: 2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

Alfa Aesar™ Naringin hydrate, 98%

CAS: 132203-74-8 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.539 MDL Number: MFCD00149445 InChI Key: DFPMSGMNTNDNHN-ODOGPVEPSA-N PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate, 97%, Maybridge™

CAS: 941717-00-6 Molecular Formula: C18H11F5N2O2 Molecular Weight (g/mol): 382.29 MDL Number: MFCD09879978 InChI Key: GQQALUKKLLEHOR-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-3,5-dimethyl-1h-pyrazol-1-yl benzoate, 2,3,4,5,6-pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate, pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate, 2,3,4,5,6-pentakis fluoranyl phenyl 4-3,5-dimethylpyrazol-1-yl benzoate, 4-3,5-dimethyl-1-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229762 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C

alpha-Methylhydrocinnamic acid, 98%, ACROS Organics™

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYSA-N Synonym: 2-benzylpropionic acid, alpha-methylhydrocinnamic acid, 2-methyl-3-phenylpropionic acid, 2-benzylpropanoic acid, 2-methyl-3-phenyl-propionic acid, acmc-20ao3h, alpha-methylhydrocinnamicacid, alpha-methyl-hydrocinnamic acid, 2-methyl-3-phenyl-propanoic acid, # PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(=O)O

Alfa Aesar™ 5,7-Dihydroxy-4'-methoxyisoflavone, 98%

CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a, biochanin, 4'-methylgenistein, 5,7-dihydroxy-4'-methoxyisoflavone, 5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one, genistein 4-methyl ether, pratensol, biochanine a, 5,7-dihydrox-4'-methoxyisoflavone, 4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O

trans-Cinnamic Acid, 98+%, ACROS Organics™

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: cinnamic acid, trans-cinnamic acid, e-cinnamic acid, 3-phenylacrylic acid, trans-3-phenylacrylic acid, zimtsaeure, 2e-3-phenylprop-2-enoic acid, 3-phenylprop-2-enoic acid, 3-phenylpropenoic acid PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

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