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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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2

3-(4-Methoxyphenyl)propionic acid, 98%

CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O

PubChem CID 95750
CAS 1929-29-9
Molecular Weight (g/mol) 180.203
MDL Number MFCD00002777
SMILES COC1=CC=C(C=C1)CCC(=O)O
Synonym 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy
IUPAC Name 3-(4-methoxyphenyl)propanoic acid
InChI Key FIUFLISGGHNPSM-UHFFFAOYSA-N
Molecular Formula C10H12O3
3

(+/-)-2-Phenylpropionic acid, 98%

CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 10296
CAS 492-37-5
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:48526
MDL Number MFCD00002650
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
IUPAC Name 2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-UHFFFAOYSA-N
Molecular Formula C9H10O2
4

3-(2-Chlorophenyl)propionic acid, 98+%

CAS: 1643-28-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016547 InChI Key: KZMDFTFGWIVSNQ-UHFFFAOYSA-N Synonym: 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t PubChem CID: 95676 IUPAC Name: 3-(2-chlorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)Cl

PubChem CID 95676
CAS 1643-28-3
Molecular Weight (g/mol) 184.619
MDL Number MFCD00016547
SMILES C1=CC=C(C(=C1)CCC(=O)O)Cl
Synonym 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t
IUPAC Name 3-(2-chlorophenyl)propanoic acid
InChI Key KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
5

Thermo Scientific Chemicals DL-2-Benzylserine, 97%

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

PubChem CID 7010088
CAS 4740-47-0
Molecular Weight (g/mol) 195.22
MDL Number MFCD01863305
SMILES C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Synonym dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine
IUPAC Name (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid
InChI Key ZMNNAJIBOJDHAF-JTQLQIEISA-N
Molecular Formula C10H13NO3
6

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

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
7

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

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
8

3-(Boc-amino)-3-(3-fluorophenyl)propionic acid, 99%, Thermo Scientific™

CAS: 284493-59-0 Molecular Formula: C14H18FNO4 Molecular Weight (g/mol): 283.299 MDL Number: MFCD02090701 InChI Key: IQPQPXUDXQDVMK-UHFFFAOYSA-N Synonym: 3-tert-butoxycarbonyl amino-3-3-fluorophenyl propanoic acid,3-boc-amino-3-3-fluorophenyl propionic acid,3-n-boc-amino-3-3-fluorophenyl propionic acid,3-3-fluorophenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-fluorophenyl propionic acid,3-tert-butoxy carbonylamino-3-3-fluorophenyl propanoic acid,acmc-20anb3,boc-r-3-amino-3-3-fluoro-phenyl-propionic acid,r,s-3-amino-3-3-fluorophenyl propanoic acid PubChem CID: 2783065 IUPAC Name: 3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)F

PubChem CID 2783065
CAS 284493-59-0
Molecular Weight (g/mol) 283.299
MDL Number MFCD02090701
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)F
Synonym 3-tert-butoxycarbonyl amino-3-3-fluorophenyl propanoic acid,3-boc-amino-3-3-fluorophenyl propionic acid,3-n-boc-amino-3-3-fluorophenyl propionic acid,3-3-fluorophenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-fluorophenyl propionic acid,3-tert-butoxy carbonylamino-3-3-fluorophenyl propanoic acid,acmc-20anb3,boc-r-3-amino-3-3-fluoro-phenyl-propionic acid,r,s-3-amino-3-3-fluorophenyl propanoic acid
IUPAC Name 3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key IQPQPXUDXQDVMK-UHFFFAOYSA-N
Molecular Formula C14H18FNO4
9

3-(2,3,4-Trimethoxyphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 33130-04-0 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00002773 InChI Key: QOPNYPCVRBRZOP-UHFFFAOYSA-N PubChem CID: 118401 IUPAC Name: 3-(2,3,4-trimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(CCC(O)=O)C(OC)=C1OC

PubChem CID 118401
CAS 33130-04-0
Molecular Weight (g/mol) 240.26
MDL Number MFCD00002773
SMILES COC1=CC=C(CCC(O)=O)C(OC)=C1OC
IUPAC Name 3-(2,3,4-trimethoxyphenyl)propanoic acid
InChI Key QOPNYPCVRBRZOP-UHFFFAOYSA-N
Molecular Formula C12H16O5
10

3-(2-Fluoro-4-methylphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 852181-17-0 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.19 MDL Number: MFCD09025394 InChI Key: HQOAGAGIHCHXLP-UHFFFAOYSA-N Synonym: 3-2-fluoro-4-methylphenyl propionic acid,3-2-fluoro-4-methylphenyl propanoic acid PubChem CID: 46737562 IUPAC Name: 3-(2-fluoro-4-methylphenyl)propanoic acid SMILES: CC1=CC(F)=C(CCC(O)=O)C=C1

PubChem CID 46737562
CAS 852181-17-0
Molecular Weight (g/mol) 182.19
MDL Number MFCD09025394
SMILES CC1=CC(F)=C(CCC(O)=O)C=C1
Synonym 3-2-fluoro-4-methylphenyl propionic acid,3-2-fluoro-4-methylphenyl propanoic acid
IUPAC Name 3-(2-fluoro-4-methylphenyl)propanoic acid
InChI Key HQOAGAGIHCHXLP-UHFFFAOYSA-N
Molecular Formula C10H11FO2
11

3-[4-Methoxy-3-(trifluoromethoxy)phenyl]propionic acid, 97%, Thermo Scientific™

CAS: 1261587-75-0 Molecular Formula: C11H11F3O4 Molecular Weight (g/mol): 264.2 MDL Number: MFCD18398561 InChI Key: DALLMZMEZXJMBE-UHFFFAOYSA-N Synonym: 3-4-methoxy-3-trifluoromethoxy phenyl propionic acid,3-4-methoxy-3-trifluoromethoxy phenyl propanoic acid PubChem CID: 66523534 IUPAC Name: 3-[4-methoxy-3-(trifluoromethoxy)phenyl]propanoic acid SMILES: COC1=C(C=C(C=C1)CCC(=O)O)OC(F)(F)F

PubChem CID 66523534
CAS 1261587-75-0
Molecular Weight (g/mol) 264.2
MDL Number MFCD18398561
SMILES COC1=C(C=C(C=C1)CCC(=O)O)OC(F)(F)F
Synonym 3-4-methoxy-3-trifluoromethoxy phenyl propionic acid,3-4-methoxy-3-trifluoromethoxy phenyl propanoic acid
IUPAC Name 3-[4-methoxy-3-(trifluoromethoxy)phenyl]propanoic acid
InChI Key DALLMZMEZXJMBE-UHFFFAOYSA-N
Molecular Formula C11H11F3O4
12

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

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

PubChem CID 46737543
CAS 916420-57-0
Molecular Weight (g/mol) 248.201
MDL Number MFCD09025376
SMILES CC1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O
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
IUPAC Name 3-[3-methyl-5-(trifluoromethoxy)phenyl]propanoic acid
InChI Key LEZTWHDBDSJSTN-UHFFFAOYSA-N
Molecular Formula C11H11F3O3
13

3-[4-Fluoro-3-methyl-5-(trifluoromethyl)phenyl]propionic acid, 97%, Thermo Scientific™

CAS: 1373920-73-0 Molecular Formula: C11H10F4O2 Molecular Weight (g/mol): 250.193 MDL Number: MFCD22201076 InChI Key: ROIPUVGZXPJVDC-UHFFFAOYSA-N Synonym: 3-4-fluoro-3-methyl-5-trifluoromethyl phenyl propionic acid,3-4-fluoro-3-methyl-5-trifluoromethyl phenyl propanoic acid PubChem CID: 86277683 IUPAC Name: 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]propanoic acid SMILES: CC1=C(C(=CC(=C1)CCC(=O)O)C(F)(F)F)F

PubChem CID 86277683
CAS 1373920-73-0
Molecular Weight (g/mol) 250.193
MDL Number MFCD22201076
SMILES CC1=C(C(=CC(=C1)CCC(=O)O)C(F)(F)F)F
Synonym 3-4-fluoro-3-methyl-5-trifluoromethyl phenyl propionic acid,3-4-fluoro-3-methyl-5-trifluoromethyl phenyl propanoic acid
IUPAC Name 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]propanoic acid
InChI Key ROIPUVGZXPJVDC-UHFFFAOYSA-N
Molecular Formula C11H10F4O2
14

alpha-Benzylsuccinic acid, 98+%

CAS: 884-33-3 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00055798 InChI Key: GTOFKXZQQDSVFH-UHFFFAOYSA-N Synonym: 2-benzylsuccinic acid,benzylsuccinic acid,dl-benzylsuccinic acid,alpha-benzylsuccinic acid,d,l-benzylsuccinic acid,phenylmethyl butanedioic acid,beta-carboxybenzenebutanoic acid,butanedioic acid,2-phenylmethyl,.alpha.-benzylsuccinic acid,benzenebutanoic acid, .beta.-carboxy PubChem CID: 3858 ChEBI: CHEBI:16054 IUPAC Name: 2-benzylbutanedioic acid SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O

PubChem CID 3858
CAS 884-33-3
Molecular Weight (g/mol) 208.213
ChEBI CHEBI:16054
MDL Number MFCD00055798
SMILES C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
Synonym 2-benzylsuccinic acid,benzylsuccinic acid,dl-benzylsuccinic acid,alpha-benzylsuccinic acid,d,l-benzylsuccinic acid,phenylmethyl butanedioic acid,beta-carboxybenzenebutanoic acid,butanedioic acid,2-phenylmethyl,.alpha.-benzylsuccinic acid,benzenebutanoic acid, .beta.-carboxy
IUPAC Name 2-benzylbutanedioic acid
InChI Key GTOFKXZQQDSVFH-UHFFFAOYSA-N
Molecular Formula C11H12O4
15

3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid, 99%, Thermo Scientific™

CAS: 284493-53-4 Molecular Formula: C15H20NO5 Molecular Weight (g/mol): 294.33 MDL Number: MFCD02090693 InChI Key: DNXONWHJJNOKEU-LBPRGKRZSA-M Synonym: 3-boc-amino-3-3-methoxyphenyl propionic acid,3-tert-butoxycarbonyl amino-3-3-methoxyphenyl propanoic acid,3-n-boc-3-3-methoxyphenyl propionic acid,3-tert-butoxy carbonylamino-3-3-methoxyphenyl propanoic acid,acmc-1cl2c,3-3-methoxyphenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-methoxyphenyl propionic acid,3-boc-amino-3-3-methoxyphenyl propanoic acid,3-tert-butoxy carbonyl amino-3-3-methoxyphenyl propanoic acid PubChem CID: 2734591 IUPAC Name: 3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: COC1=CC=CC(=C1)[C@H](CC([O-])=O)NC(=O)OC(C)(C)C

PubChem CID 2734591
CAS 284493-53-4
Molecular Weight (g/mol) 294.33
MDL Number MFCD02090693
SMILES COC1=CC=CC(=C1)[C@H](CC([O-])=O)NC(=O)OC(C)(C)C
Synonym 3-boc-amino-3-3-methoxyphenyl propionic acid,3-tert-butoxycarbonyl amino-3-3-methoxyphenyl propanoic acid,3-n-boc-3-3-methoxyphenyl propionic acid,3-tert-butoxy carbonylamino-3-3-methoxyphenyl propanoic acid,acmc-1cl2c,3-3-methoxyphenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-methoxyphenyl propionic acid,3-boc-amino-3-3-methoxyphenyl propanoic acid,3-tert-butoxy carbonyl amino-3-3-methoxyphenyl propanoic acid
IUPAC Name 3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key DNXONWHJJNOKEU-LBPRGKRZSA-M
Molecular Formula C15H20NO5