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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 3-Cyanobenzaldehyde

SMILES

O=CC1=CC=CC(=C1)C#N

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H5NO
Molecular Weight 131.1314
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 19:15:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:58 GMT 2025
Record UNII
3J43L4VV2A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Cyanobenzaldehyde
Systematic Name English
M-FORMYLBENZONITRILE
Preferred Name English
m-Cyanobenzaldehyde
Systematic Name English
Benzonitrile, 3-formyl-
Systematic Name English
3-Formylbenzonitrile
Systematic Name English
Isophthalaldehydonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
90670
Created by admin on Tue Apr 01 19:15:58 GMT 2025 , Edited by admin on Tue Apr 01 19:15:58 GMT 2025
PRIMARY
CAS
24964-64-5
Created by admin on Tue Apr 01 19:15:58 GMT 2025 , Edited by admin on Tue Apr 01 19:15:58 GMT 2025
PRIMARY
FDA UNII
3J43L4VV2A
Created by admin on Tue Apr 01 19:15:58 GMT 2025 , Edited by admin on Tue Apr 01 19:15:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID30179677
Created by admin on Tue Apr 01 19:15:58 GMT 2025 , Edited by admin on Tue Apr 01 19:15:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
246-549-1
Created by admin on Tue Apr 01 19:15:58 GMT 2025 , Edited by admin on Tue Apr 01 19:15:58 GMT 2025
PRIMARY