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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Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N 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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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
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

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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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

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

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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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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

3-Phenylpropionic Acid 98.0+%, TCI America™

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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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

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3-(4-n-Propoxyphenyl)propionic acid, 96%

CAS: 3243-40-1 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00484121 InChI Key: SOFMLHAGBATXNZ-UHFFFAOYSA-N Synonym: 3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid PubChem CID: 2255935 IUPAC Name: 3-(4-propoxyphenyl)propanoic acid SMILES: CCCOC1=CC=C(C=C1)CCC(=O)O

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PubChem CID	2255935
CAS	3243-40-1
Molecular Weight (g/mol)	208.257
MDL Number	MFCD00484121
SMILES	CCCOC1=CC=C(C=C1)CCC(=O)O
Synonym	3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid
IUPAC Name	3-(4-propoxyphenyl)propanoic acid
InChI Key	SOFMLHAGBATXNZ-UHFFFAOYSA-N
Molecular Formula	C12H16O3

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3-[4-(Methylthio)phenyl]propionic acid, 96%

CAS: 138485-81-1 Molecular Formula: C10H12O2S Molecular Weight (g/mol): 196.264 MDL Number: MFCD03425696 InChI Key: ASTVFRXZLBGVRL-UHFFFAOYSA-N PubChem CID: 3801098 IUPAC Name: 3-(4-methylsulfanylphenyl)propanoic acid SMILES: CSC1=CC=C(C=C1)CCC(=O)O

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PubChem CID	3801098
CAS	138485-81-1
Molecular Weight (g/mol)	196.264
MDL Number	MFCD03425696
SMILES	CSC1=CC=C(C=C1)CCC(=O)O
IUPAC Name	3-(4-methylsulfanylphenyl)propanoic acid
InChI Key	ASTVFRXZLBGVRL-UHFFFAOYSA-N
Molecular Formula	C10H12O2S

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4-(2-Carboxyethyl)benzeneboronic acid, 97%

CAS: 166316-48-9 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.993 MDL Number: MFCD01318119 InChI Key: VPSARXNVXCRDIV-UHFFFAOYSA-N Synonym: 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid PubChem CID: 3863484 IUPAC Name: 3-(4-boronophenyl)propanoic acid SMILES: B(C1=CC=C(C=C1)CCC(=O)O)(O)O

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PubChem CID	3863484
CAS	166316-48-9
Molecular Weight (g/mol)	193.993
MDL Number	MFCD01318119
SMILES	B(C1=CC=C(C=C1)CCC(=O)O)(O)O
Synonym	3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid
IUPAC Name	3-(4-boronophenyl)propanoic acid
InChI Key	VPSARXNVXCRDIV-UHFFFAOYSA-N
Molecular Formula	C9H11BO4

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3-(2,5-Dimethoxyphenyl)propionic acid, 96%

CAS: 10538-49-5 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00060325 InChI Key: JENQUCZZZGYHRW-UHFFFAOYSA-N PubChem CID: 66343 IUPAC Name: 3-(2,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(OC)C(CCC(O)=O)=C1

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Specifications

PubChem CID	66343
CAS	10538-49-5
Molecular Weight (g/mol)	210.23
MDL Number	MFCD00060325
SMILES	COC1=CC=C(OC)C(CCC(O)=O)=C1
IUPAC Name	3-(2,5-dimethoxyphenyl)propanoic acid
InChI Key	JENQUCZZZGYHRW-UHFFFAOYSA-N
Molecular Formula	C11H14O4

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L-(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

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PubChem CID	444718
CAS	20312-36-1
Molecular Weight (g/mol)	165.17
ChEBI	CHEBI:43065
MDL Number	MFCD00004244
SMILES	O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym	l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name	(2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula	C9H9O3

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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

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PubChem CID	14340
CAS	1135-23-5
Molecular Weight (g/mol)	196.202
ChEBI	CHEBI:86612
MDL Number	MFCD00016558
SMILES	COC1=C(C=CC(=C1)CCC(=O)O)O
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
IUPAC Name	3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI Key	BOLQJTPHPSDZHR-UHFFFAOYSA-N
Molecular Formula	C10H12O4

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3-(4-Chloro-3-methylphenyl)propionic acid, 96%

CAS: 1086386-05-1 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD11655590 InChI Key: PCLIPGMIRVJYFB-UHFFFAOYSA-N Synonym: 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl PubChem CID: 46741400 IUPAC Name: 3-(4-chloro-3-methylphenyl)propanoic acid SMILES: CC1=C(C=CC(=C1)CCC(=O)O)Cl

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PubChem CID	46741400
CAS	1086386-05-1
Molecular Weight (g/mol)	198.646
MDL Number	MFCD11655590
SMILES	CC1=C(C=CC(=C1)CCC(=O)O)Cl
Synonym	3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl
IUPAC Name	3-(4-chloro-3-methylphenyl)propanoic acid
InChI Key	PCLIPGMIRVJYFB-UHFFFAOYSA-N
Molecular Formula	C10H11ClO2

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

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(S)-3-(Boc-amino)-3-phenylpropionic acid, 95%

CAS: 103365-47-5 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01860892 InChI Key: JTNQFJPZRTURSI-NSHDSACASA-N Synonym: boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid PubChem CID: 2734490 IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

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PubChem CID	2734490
CAS	103365-47-5
Molecular Weight (g/mol)	265.309
MDL Number	MFCD01860892
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym	boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key	JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Formula	C14H19NO4

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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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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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