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Molecule record

3-formylbenzonitrile

C8H5NO

131.13 g/mol

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Molecular properties

Formula
C8H5NO
Molar mass
131.13 g·mol−1
Exact mass
131.0371 Da
7
PubChem CID
90670

Functional groups

Aldehyde
Aromatic ring
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 246-549-1
  • 24964-64-5
  • 3-Cyanobenzaldehyde
  • 3-FormYl-Benzonitrile
  • 3-Formylbenzonitrile #
  • 3-Formylbenzonitrile, 98%
  • 3-cyano benzaldehyde
  • 3-formylbenzenecarbonitrile
Show all 24 synonyms
  • 3cyano-benzaldehyde
  • Benzonitrile, 3-formyl-
  • DTXCID90102168
  • DTXSID30179677
  • EINECS 246-549-1
  • InChI=1/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6
  • Isophthalaldehydonitrile
  • MFCD00003344
  • RefChem:800369
  • SCHEMBL67236
  • SCHEMBL98479
  • benzenecarbonitrile, 3-formyl-
  • m-Formylbenzonitrile
  • m-cyano benzaldehyde
  • m-cyanobenzaldehyde
  • meta-cyanobenzaldehyde

Structure identifiers

Canonical SMILES
N#Cc1cccc(C=O)c1
Isomeric SMILES
C1=CC(=CC(=C1)C#N)C=O
InChI
InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChIKey
HGZJJKZPPMFIBU-UHFFFAOYSA-N
PubChem CID
90670

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-formylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-formylbenzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record