Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.

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3-(3,4-Dihydroxyphenyl)propionic acid, 98+%

CAS: 1078-61-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

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PubChem CID	348154
CAS	1078-61-1
Molecular Weight (g/mol)	182.175
ChEBI	CHEBI:48400
MDL Number	MFCD00002776
SMILES	C1=CC(=C(C=C1CCC(=O)O)O)O
Synonym	dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid
IUPAC Name	3-(3,4-dihydroxyphenyl)propanoic acid
InChI Key	DZAUWHJDUNRCTF-UHFFFAOYSA-N
Molecular Formula	C9H10O4

(+/-)-Phenylsuccinic acid, 98%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

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PubChem CID	95459
CAS	635-51-8
Molecular Weight (g/mol)	194.186
MDL Number	MFCD00004256
SMILES	C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym	phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name	2-phenylbutanedioic acid
InChI Key	LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula	C10H10O4

DL-Phenylsuccinic acid, 98+%

CAS: 635-51-8 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

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Specifications

PubChem CID	95459
CAS	635-51-8
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00004256
SMILES	C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym	phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name	2-phenylbutanedioic acid
InChI Key	LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O₄

4-Isobutyl-alpha-methylphenylacetic acid, 99%

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-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

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

(+/-)-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

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PubChem CID	3848
CAS	828-01-3
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:25998
MDL Number	MFCD00065928
SMILES	C1=CC=C(C=C1)CC(C(=O)O)O
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
IUPAC Name	2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

Hydrocinnamic acid, 99%

CAS: 501-52-0 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

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PubChem CID	107
CAS	501-52-0
Molecular Weight (g/mol)	150.18
ChEBI	CHEBI:28631
MDL Number	MFCD00002771
SMILES	C1=CC=C(C=C1)CCC(=O)O
Synonym	hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name	3-phenylpropanoic acid
InChI Key	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

3-Phenylpropionic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

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Specifications

PubChem CID	107
CAS	501-52-0
Molecular Weight (g/mol)	150.177
ChEBI	CHEBI:28631
MDL Number	MFCD00002771
SMILES	C1=CC=C(C=C1)CCC(=O)O
Synonym	hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name	3-phenylpropanoic acid
InChI Key	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula	C9H10O2

DL-3-Phenyllactic acid, 97%

CAS: 828-01-3 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 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

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Specifications

PubChem CID	3848
CAS	828-01-3
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:25998
MDL Number	MFCD00065928
SMILES	C1=CC=C(C=C1)CC(C(=O)O)O
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
IUPAC Name	2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

3-(3-Methoxyphenyl)propionic acid, 98+%

CAS: 10516-71-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00014027 InChI Key: BJJQJLOZWBZEGA-UHFFFAOYSA-N Synonym: 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate PubChem CID: 66336 IUPAC Name: 3-(3-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC(CCC(O)=O)=C1

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PubChem CID	66336
CAS	10516-71-9
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00014027
SMILES	COC1=CC=CC(CCC(O)=O)=C1
Synonym	3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate
IUPAC Name	3-(3-methoxyphenyl)propanoic acid
InChI Key	BJJQJLOZWBZEGA-UHFFFAOYSA-N
Molecular Formula	C10H12O3

3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%

CAS: 25173-72-2 Molecular Formula: C₁₂H₁₆O₅ Molecular Weight (g/mol): 240.25 InChI Key: ZCYXGVJUZBKJAI-UHFFFAOYSA-N Synonym: 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958 PubChem CID: 64860 ChEBI: CHEBI:583580 IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1OC)OC)CCC(=O)O

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Specifications

PubChem CID	64860
CAS	25173-72-2
Molecular Weight (g/mol)	240.25
ChEBI	CHEBI:583580
SMILES	COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Synonym	3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958
IUPAC Name	3-(3,4,5-trimethoxyphenyl)propanoic acid
InChI Key	ZCYXGVJUZBKJAI-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₆O₅

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-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

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PubChem CID	99862
CAS	1009-67-2
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00192301
SMILES	CC(CC1=CC=CC=C1)C(O)=O
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,#
IUPAC Name	2-methyl-3-phenylpropanoic acid
InChI Key	MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula	C10H12O2

(R)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid, 95%

CAS: 261380-20-5 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD01320860 InChI Key: ZAMLGGRVTAXBHI-LLVKDONJSA-N Synonym: boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine PubChem CID: 7009110 IUPAC Name: (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	7009110
CAS	261380-20-5
Molecular Weight (g/mol)	344.205
MDL Number	MFCD01320860
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br
Synonym	boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine
IUPAC Name	(3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key	ZAMLGGRVTAXBHI-LLVKDONJSA-N
Molecular Formula	C14H18BrNO4

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

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Specifications

PubChem CID	91
CAS	621-54-5
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:1427
MDL Number	MFCD00016554
SMILES	C1=CC(=CC(=C1)O)CCC(=O)O
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
IUPAC Name	3-(3-hydroxyphenyl)propanoic acid
InChI Key	QVWAEZJXDYOKEH-UHFFFAOYSA-N
Molecular Formula	C9H10O3

Phenylpropanoic acids

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