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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6N2
Molecular Weight 142.1573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLMALONONITRILE

SMILES

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

InChI

InChIKey=OFCTVAYVCDCQDA-UHFFFAOYSA-N
InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H

HIDE SMILES / InChI

Molecular Formula C9H6N2
Molecular Weight 142.1573
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 Tue Apr 01 19:37:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:01 GMT 2025
Record UNII
5M3K6FPU6O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-10742
Preferred Name English
PHENYLMALONONITRILE
Common Name English
2-PHENYLPROPANEDINITRILE
Systematic Name English
PROPANEDINITRILE, 2-PHENYL-
Systematic Name English
MALONONITRILE, PHENYL-
Systematic Name English
PROPANEDINITRILE, PHENYL-
Common Name English
Code System Code Type Description
CAS
3041-40-5
Created by admin on Tue Apr 01 19:37:01 GMT 2025 , Edited by admin on Tue Apr 01 19:37:01 GMT 2025
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FDA UNII
5M3K6FPU6O
Created by admin on Tue Apr 01 19:37:01 GMT 2025 , Edited by admin on Tue Apr 01 19:37:01 GMT 2025
PRIMARY
NSC
10742
Created by admin on Tue Apr 01 19:37:01 GMT 2025 , Edited by admin on Tue Apr 01 19:37:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID80184493
Created by admin on Tue Apr 01 19:37:01 GMT 2025 , Edited by admin on Tue Apr 01 19:37:01 GMT 2025
PRIMARY
PUBCHEM
18234
Created by admin on Tue Apr 01 19:37:01 GMT 2025 , Edited by admin on Tue Apr 01 19:37:01 GMT 2025
PRIMARY