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 3-(CYANOMETHYL)BENZOIC ACID

SMILES

OC(=O)C1=CC=CC(CC#N)=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(CYANOMETHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(CYANOMETHYL)-
Systematic Name English
KETOPROFEN IMPURITY H [EP IMPURITY]
Common Name English
M-TOLUIC ACID, .ALPHA.-CYANO-
Common Name English
M-(CYANOMETHYL)BENZOIC ACID
Systematic Name English
3-CARBOXYPHENYLACETONITRILE
Systematic Name English
Code System Code Type Description
CAS
5689-33-8
Created by admin on Sat Dec 16 10:53:11 GMT 2023 , Edited by admin on Sat Dec 16 10:53:11 GMT 2023
PRIMARY
PUBCHEM
15520851
Created by admin on Sat Dec 16 10:53:11 GMT 2023 , Edited by admin on Sat Dec 16 10:53:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID00205412
Created by admin on Sat Dec 16 10:53:11 GMT 2023 , Edited by admin on Sat Dec 16 10:53:11 GMT 2023
PRIMARY
FDA UNII
J7V17Q435V
Created by admin on Sat Dec 16 10:53:11 GMT 2023 , Edited by admin on Sat Dec 16 10:53:11 GMT 2023
PRIMARY