Molecular properties
- Formula
- C8H6O4
- Molar mass
- 166.13 g·mol−1
- Exact mass
- 166.0266 Da
- 6
- PubChem CID
- 8496
Molecule record
benzene-1,3-dicarboxylic acid
C8H6O4
166.13 g/mol
Loading structure
Functional groups
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1,3-Benzenedicarboxylic acid
- 121-91-5
- 204-506-4
- Acide isophtalique
- Acide isophtalique [French]
- BRN 1909332
- CHEBI:30802
- DTXCID301485
Show all 24 synonyms
- DTXSID3021485
- EINECS 204-506-4
- HSDB 2090
- ISOPHTHALIC ACID
- Isophthalate
- Kyselina isoftalova
- Kyselina isoftalova [Czech]
- MFCD00002516
- NSC-15310
- RefChem:7642
- X35216H9FJ
- benzene-1,3-dicarboxylate;hydron
- m-Benzenedicarboxylic acid
- m-Dicarboxybenzene
- m-Phthalic acid
- meta-benzenedicarboxylic acid
Structure identifiers
- Canonical SMILES
- O=C(O)c1cccc(C(=O)O)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)C(=O)O)C(=O)O
- InChI
- InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChIKey
- QQVIHTHCMHWDBS-UHFFFAOYSA-N
- PubChem CID
- 8496
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 benzene-1,3-dicarboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for benzene-1,3-dicarboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.