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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO
Molecular Weight 131.1314
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLGLYOXYLONITRILE

SMILES

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

InChI

InChIKey=GJQBHOAJJGIPRH-UHFFFAOYSA-N
InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENYLGLYOXYLONITRILE
Common Name English
NSC-401920
Preferred Name English
2-(OXO)-2-(PHENYL)ACETONITRILE
Systematic Name English
GLYOXYLONITRILE, PHENYL-
Common Name English
BENZOYL CYANIDE
Common Name English
.ALPHA.-OXOBENZENEACETONITRILE
Common Name English
BENZOYL NITRILE
Common Name English
PHENYL GLYOXONITRILE
Common Name English
PHENYLGLYOXALIC ACID NITRILE
Common Name English
BENZENEACETONITRILE, .ALPHA.-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
9R5O6C18O8
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID2060626
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
CHEBI
51853
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
NSC
401920
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-359-7
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
CAS
613-90-1
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY
PUBCHEM
11953
Created by admin on Tue Apr 01 19:11:10 GMT 2025 , Edited by admin on Tue Apr 01 19:11:10 GMT 2025
PRIMARY