Molecular properties
- Formula
- C7H5NO4
- Molar mass
- 167.12 g·mol−1
- Exact mass
- 167.0219 Da
- 6
- PubChem CID
- 8497
Molecule record
3-nitrobenzoic acid
C7H5NO4
167.12 g/mol
Loading structure
Functional groups
Aromatic ring
Carboxylic acid
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 121-92-6
- 204-508-5
- 27178-83-2
- 3-Nitro-benzoic acid
- AI3-09015
- BRN 0908644
- Benzoic acid, 3-nitro-
- Benzoic acid, m-nitro-
Show all 24 synonyms
- CAS-121-92-6
- CCRIS 2335
- DTXCID605737
- DTXSID0025737
- EINECS 204-508-5
- H318ZW7612
- HSDB 6028
- M-CARBOXYNITROBENZENE
- MFCD00007251
- Metanitrobenzoic acid
- NSC-9801
- RefChem:95028
- UNII-H318ZW7612
- m-Nitrobenzenecarboxylic acid
- m-Nitrobenzoic acid
- meta-Nitrobenzoic acid
Structure identifiers
- Canonical SMILES
- O=C(O)c1cccc([N+](=O)[O-])c1
- Isomeric SMILES
- C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
- InChI
- InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
- InChIKey
- AFPHTEQTJZKQAQ-UHFFFAOYSA-N
- PubChem CID
- 8497
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-nitrobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitrobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.