Molecular properties
- Formula
- C8H5NO2
- Molar mass
- 147.13 g·mol−1
- Exact mass
- 147.0320 Da
- 7
- PubChem CID
- 138061
Molecule record
2-cyanobenzoic acid
C8H5NO2
147.13 g/mol
Loading structure
Functional groups
Aromatic ring
Carboxylic acid
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-CARBOXYBENZONITRILE
- 2-Cyanobenzoic acid #
- 2-CyanobenzoicAcid
- 2-carboxy-benzonitrile
- 2-cyano-benzoic acid
- 3839-22-3
- 675-699-4
- Benzoic acid, 2-cyano-
Show all 24 synonyms
- Benzoic acid, 2-cyano- (9CI)
- Cyanobenzoic acid
- DTXCID10114223
- DTXSID70191732
- MFCD00045796
- NSC 193443
- RefChem:470721
- SCHEMBL1197292
- SCHEMBL180853
- SCHEMBL2164376
- SCHEMBL28329585
- SCHEMBL29365220
- SCHEMBL3282410
- TIMTEC-BB SBB008461
- o-Carboxybenzonitrile
- o-Cyanobenzoic acid
Structure identifiers
- Canonical SMILES
- N#Cc1ccccc1C(=O)O
- Isomeric SMILES
- C1=CC=C(C(=C1)C#N)C(=O)O
- InChI
- InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
- InChIKey
- DTNSDCJFTHMDAK-UHFFFAOYSA-N
- PubChem CID
- 138061
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-cyanobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-cyanobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.