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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO
Molecular Weight 145.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOYLACETONITRILE

SMILES

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

InChI

InChIKey=ZJRCIQAMTAINCB-UHFFFAOYSA-N
InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C9H7NO
Molecular Weight 145.158
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 Fri Dec 15 19:12:11 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:11 GMT 2023
Record UNII
AFI9JB57H3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOYLACETONITRILE
Common Name English
.BETA.-OXOBENZENEPROPIONITRILE
Systematic Name English
2-CYANOACETYL PHENONE
Common Name English
2-CYANOACETOPHENONE
Systematic Name English
3-PHENYL-3-OXOPROPANENITRILE
Systematic Name English
.BETA.-OXOBENZENEPROPANENITRILE
Systematic Name English
3-OXO-3-PHENYLPROPANENITRILE
Systematic Name English
ACETONITRILE, BENZOYL-
Common Name English
PHENACYL CYANIDE
Common Name English
BENZOYLCYANOMETHANE
Common Name English
.ALPHA.-CYANOACETOPHENONE
Systematic Name English
CYANOACETOPHENONE
Common Name English
BENZENEPROPANENITRILE, .BETA.-OXO-
Systematic Name English
ACETOPHENONE, 2-CYANO-
Systematic Name English
CYANOMETHYL PHENYL KETONE
Common Name English
NSC-4713
Code English
3-OXO-3-PHENYLPROPIONITRILE
Systematic Name English
3-PHENYL-3-KETOPROPIONITRILE
Systematic Name English
HYDROCINNAMONITRILE, .BETA.-OXO-
Systematic Name English
.OMEGA.-CYANOACETOPHENONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-369-1
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
PUBCHEM
64799
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
FDA UNII
AFI9JB57H3
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
CAS
614-16-4
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
CHEBI
51855
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
NSC
4713
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID7060629
Created by admin on Fri Dec 15 19:12:11 GMT 2023 , Edited by admin on Fri Dec 15 19:12:11 GMT 2023
PRIMARY