U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENYLBUTYRIC ACID, (S)-

SMILES

CC[C@H](C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OFJWFSNDPCAWDK-VIFPVBQESA-N
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:31 GMT 2023
Record UNII
56PGV95391
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENYLBUTYRIC ACID, (S)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-ETHYL-, (S)-
Systematic Name English
BUTYRIC ACID, 2-PHENYL-, (S)-(+)-
Common Name English
(S)-(+)-2-PHENYLBUTYRIC ACID
Systematic Name English
(S)-(+)-2-PHENYLBUTANOIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-ETHYL-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
785329
Created by admin on Sat Dec 16 11:46:31 GMT 2023 , Edited by admin on Sat Dec 16 11:46:31 GMT 2023
PRIMARY
CAS
4286-15-1
Created by admin on Sat Dec 16 11:46:31 GMT 2023 , Edited by admin on Sat Dec 16 11:46:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID301313360
Created by admin on Sat Dec 16 11:46:31 GMT 2023 , Edited by admin on Sat Dec 16 11:46:31 GMT 2023
PRIMARY
FDA UNII
56PGV95391
Created by admin on Sat Dec 16 11:46:31 GMT 2023 , Edited by admin on Sat Dec 16 11:46:31 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER