Molecular properties
- Formula
- C8H5NO2
- Molar mass
- 147.13 g·mol−1
- Exact mass
- 147.0320 Da
- 7
- PubChem CID
- 15875
Molecule record
3-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
- 1877-72-1
- 217-511-1
- 3-Carboxybenzonitrile
- 3-Carboxybenzonitrile; m-Carboxybenzonitrile; m-Cyanobenzoic Acid;
- 3-Cyano-benzoic acid
- 3-Cyanobenzoic acid, 98%
- 3-Cyanobenzoicacid
- AC-7326
Show all 24 synonyms
- AKOS000120507
- Benzoic acid, 3-cyano-
- Benzoic acid, m-cyano-
- D2GC692D78
- DTXCID1094565
- DTXSID00172074
- EINECS 217-511-1
- GYLKKXHEIIFTJH-UHFFFAOYSA-N
- InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11
- Isophthalic acid mononitrile
- MFCD00002486
- RefChem:93570
- UNII-D2GC692D78
- Z56921155
- m-Carboxybenzonitrile
- m-Cyanobenzoic acid
Structure identifiers
- Canonical SMILES
- N#Cc1cccc(C(=O)O)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)C(=O)O)C#N
- InChI
- InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
- InChIKey
- GYLKKXHEIIFTJH-UHFFFAOYSA-N
- PubChem CID
- 15875
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 3-cyanobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-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.