2-Oxo-4-phenylbutyric acid

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 2-Oxo-4-phenylbutyric acid

Structure Search

SMILES

OC(=O)C(=O)CCC1=CC=CC=C1

InChI

InChIKey=PPKAIMDMNWBOKN-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C10H10O3
Molecular Weight	178.1846
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:53:44 GMT 2025` Edited by `admin` on `Tue Apr 01 18:53:44 GMT 2025`
Record UNII	ZRJ8BR4W8R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzylpyruvic acid

Preferred Name

English

2-Oxo-4-phenylbutyric acid

Systematic Name

English

Benzenebutanoic acid, ?-oxo-

Systematic Name

English

4-Phenyl-2-oxobutyric acid

Systematic Name

English

2-Hydroxy-4-phenyl-2-butenoic acid

Systematic Name

English

?-Oxobenzenebutanoic acid

Systematic Name

English

2-Butenoic acid, 2-hydroxy-4-phenyl-

Systematic Name

English

2-Oxo-4-phenylbutanoic acid

Systematic Name

English

Code System Code Type Description

CAS

710-11-2

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

PRIMARY

EPA CompTox

DTXSID10221224

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

PRIMARY

ECHA (EC/EINECS)

211-916-7

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

PRIMARY

CAS

848678-50-2

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

ALTERNATIVE

FDA UNII

ZRJ8BR4W8R

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

PRIMARY

PUBCHEM

69732

Created by admin on Tue Apr 01 18:53:44 GMT 2025 , Edited by admin on Tue Apr 01 18:53:44 GMT 2025

PRIMARY