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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BENZOYLPROPIONIC ACID

SMILES

OC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChIKey=KMQLIDDEQAJAGJ-UHFFFAOYSA-N
InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-BENZOYLPROPIONIC ACID
Common Name English
NSC-229040
Code English
BENZENEBUTANOIC ACID, .GAMMA.-OXO-
Common Name English
PROPIONIC ACID, 3-BENZOYL-
Systematic Name English
PHENYLBUTYRATE SODIUM IMPURITY A [EP IMPURITY]
Common Name English
NSC-51010
Code English
PHENYLBUTYRATE RELATED COMPOUND A [USP-RS]
Common Name English
4-OXO-4-PHENYLBUTANOIC ACID
Common Name English
NSC-2092
Code English
Code System Code Type Description
NSC
229040
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
RS_ITEM_NUM
1614523
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
FDA UNII
UV05GZ4D9Z
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
CHEBI
64437
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-135-0
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
PUBCHEM
72871
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
NSC
2092
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
CAS
2051-95-8
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
NSC
51010
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID4062149
Created by admin on Sat Dec 16 11:16:19 GMT 2023 , Edited by admin on Sat Dec 16 11:16:19 GMT 2023
PRIMARY