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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O3
Molecular Weight 192.2112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BENZOYLBUTYRIC ACID

SMILES

OC(=O)CCCC(=O)C1=CC=CC=C1

InChI

InChIKey=SHKWSBAVRQZYLE-UHFFFAOYSA-N
InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-10139
Preferred Name English
4-BENZOYLBUTYRIC ACID
Systematic Name English
BENZENEPENTANOIC ACID, .DELTA.-OXO-
Systematic Name English
5-OXO-5-PHENYLVALERIC ACID
Systematic Name English
4-BENZOYLBUTANOIC ACID
Systematic Name English
5-PHENYL-5-OXOPENTANOIC ACID
Systematic Name English
5-PHENYL-5-OXOVALERIC ACID
Systematic Name English
5-OXO-5-PHENYLPENTANOIC ACID
Systematic Name English
BUTYRIC ACID, 4-BENZOYL-
Systematic Name English
.GAMMA.-BENZOYLBUTYRIC ACID
Systematic Name English
.DELTA.-OXOBENZENEPENTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
73914
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID50164469
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY
NSC
10139
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-113-5
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY
FDA UNII
595CFD21KA
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY
CAS
1501-05-9
Created by admin on Tue Apr 01 20:15:27 GMT 2025 , Edited by admin on Tue Apr 01 20:15:27 GMT 2025
PRIMARY