BENZOYLACETIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8O3
Molecular Weight	164.158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZOYLACETIC ACID

Structure Search

SMILES

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

InChI

InChIKey=HXUIDZOMTRMIOE-UHFFFAOYSA-N

InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C9H8O3
Molecular Weight	164.158
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
[Simultaneous determination of twenty-one organic acids in food by ion chromatography with eluent autogeneration].	2007 Jan	17432587
[Chemical constituents from Lespedeza virgata].	2008 May	18652349

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:18:15 UTC 2023` Edited by `admin` on `Fri Dec 15 18:18:15 UTC 2023`
Record UNII	C0Z4E3K13K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOYLACETIC ACID

Systematic Name

English

3-KETO-3-PHENYLPROPIONIC ACID

Systematic Name

English

NSC-97769

Code

English

3-OXO-3-PHENYLPROPANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

97045

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

CHEBI

28759

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

NSC

97769

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

CAS

614-20-0

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

MESH

C036323

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID70210316

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

FDA UNII

C0Z4E3K13K

Created by admin on Fri Dec 15 18:18:15 UTC 2023 , Edited by admin on Fri Dec 15 18:18:15 UTC 2023

PRIMARY

Related Record Type Details


					8SKN0B0MIM

PARENT -> METABOLITE

Comments:

in horse urine

Qualification:

URINE

Amount: