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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO
Molecular Weight 159.1846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-OXO-4-PHENYL-BUTYRONITRILE

SMILES

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

InChI

InChIKey=OSPRTYTUQJCKFF-UHFFFAOYSA-N
InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

HIDE SMILES / InChI

Molecular Formula C10H9NO
Molecular Weight 159.1846
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 Wed Apr 02 12:03:22 GMT 2025
Edited
by admin
on Wed Apr 02 12:03:22 GMT 2025
Record UNII
KTS5NGB3ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-520
Preferred Name English
4-OXO-4-PHENYL-BUTYRONITRILE
Systematic Name English
.BETA.-BENZOYLPROPIONITRILE
Systematic Name English
PROPANENITRILE, 3-BENZOYL-
Systematic Name English
.GAMMA.-OXOBENZENEBUTANENITRILE
Systematic Name English
BENZENEBUTANENITRILE, .GAMMA.-OXO-
Systematic Name English
.BETA.-CYANOPROPIOPHENONE
Systematic Name English
2-CYANOETHYL PHENYL KETONE
Systematic Name English
4-OXO-4-PHENYLBUTANENITRILE
Systematic Name English
PROPIONITRILE, 3-BENZOYL-
Systematic Name English
3-CYANO-1-PHENYLPROPAN-1-ONE
Systematic Name English
Code System Code Type Description
NSC
520
Created by admin on Wed Apr 02 12:03:22 GMT 2025 , Edited by admin on Wed Apr 02 12:03:22 GMT 2025
PRIMARY
PUBCHEM
138465
Created by admin on Wed Apr 02 12:03:22 GMT 2025 , Edited by admin on Wed Apr 02 12:03:22 GMT 2025
PRIMARY
FDA UNII
KTS5NGB3ZQ
Created by admin on Wed Apr 02 12:03:22 GMT 2025 , Edited by admin on Wed Apr 02 12:03:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID80201598
Created by admin on Wed Apr 02 12:03:22 GMT 2025 , Edited by admin on Wed Apr 02 12:03:22 GMT 2025
PRIMARY
CAS
5343-98-6
Created by admin on Wed Apr 02 12:03:22 GMT 2025 , Edited by admin on Wed Apr 02 12:03:22 GMT 2025
PRIMARY