Molecular properties
- Formula
- C8H7NO4
- Molar mass
- 181.15 g·mol−1
- Exact mass
- 181.0375 Da
- 6
- PubChem CID
- 15876
Molecule record
2-(3-nitrophenyl)acetic acid
C8H7NO4
181.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (3-Nitro-phenyl)-acetic acid
- 1877-73-2
- 217-512-7
- 3-Nitrobenzeneacetic acid
- 3-Nitrophenylacetic acid
- 3-Nitrophenylacetic acid, 99%
- 3-nitrophenyl acetic acid
- ACETIC ACID, (m-NITROPHENYL)-
Show all 24 synonyms
- BRN 2050088
- Benzeneacetic acid, 3-nitro-
- Benzeneacetic acid, 3-nitro-(9CI)
- CCRIS 2337
- DTXCID6094566
- DTXSID60172075
- EINECS 217-512-7
- InChI=1/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
- MFCD00007278
- NSC 93911
- NSC93911
- RefChem:504502
- SCHEMBL14134783
- WUKHOVCMWXMOOA-UHFFFAOYSA-
- m-Nitrophenyl acetic acid
- m-Nitrophenylacetic acid
Structure identifiers
- Canonical SMILES
- O=C(O)Cc1cccc([N+](=O)[O-])c1
- Isomeric SMILES
- C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O
- InChI
- InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
- InChIKey
- WUKHOVCMWXMOOA-UHFFFAOYSA-N
- PubChem CID
- 15876
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-(3-nitrophenyl)acetic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(3-nitrophenyl)acetic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.