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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO2
Molecular Weight 161.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANOPHENYLACETIC ACID

SMILES

OC(=O)CC1=CC=CC=C1C#N

InChI

InChIKey=QLHZKPQKYARBGT-UHFFFAOYSA-N
InChI=1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-CYANOPHENYLACETIC ACID
Systematic Name English
(2-CYANOPHENYL)ACETIC ACID
Preferred Name English
2-(2-CYANOPHENYL)ACETIC ACID
Common Name English
2-CYANOBENZENEACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 2-CYANO-
Systematic Name English
Code System Code Type Description
CAS
18698-99-2
Created by admin on Tue Apr 01 19:46:17 GMT 2025 , Edited by admin on Tue Apr 01 19:46:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID30171959
Created by admin on Tue Apr 01 19:46:17 GMT 2025 , Edited by admin on Tue Apr 01 19:46:17 GMT 2025
PRIMARY
PUBCHEM
87755
Created by admin on Tue Apr 01 19:46:17 GMT 2025 , Edited by admin on Tue Apr 01 19:46:17 GMT 2025
PRIMARY
FDA UNII
JV82PCF67H
Created by admin on Tue Apr 01 19:46:17 GMT 2025 , Edited by admin on Tue Apr 01 19:46:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
242-510-8
Created by admin on Tue Apr 01 19:46:17 GMT 2025 , Edited by admin on Tue Apr 01 19:46:17 GMT 2025
PRIMARY