Molecular properties
- Formula
- C7H6O2
- Molar mass
- 122.12 g·mol−1
- Exact mass
- 122.0368 Da
- 5
- 1
- 2
- 37.30 Ų
- 1.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 65-85-0
- PubChem CID
- 243
Molecule record
Benzoic acid
C7H6O2
122.12 g/mol
Show IUPAC name
IUPAC name
Benzenecarboxylic acid
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Aromatic ring
Carboxylic acid
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 65-85-0
- Acide benzoique
- Benzeneformic acid
- Benzenemethanoic acid
- Benzenemethonic acid
- Benzoesaeure
- Benzoesaeure GK
- Benzoesaeure GV
Show all 22 synonyms
- Benzoic acid, tech.
- Carboxybenzene
- Dracylic acid
- FEMA No. 2131
- HA 1 (acid)
- Kyselina benzoova
- Phenylcarboxylic acid
- Retarder BA
- Retardex
- Salvo liquid
- Solvo powder
- Tenn-Plas
- Unisept BZA
- phenylformic acid
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)C(=O)O
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
- InChIKey
- WPYMKLBDIGXBTP-UHFFFAOYSA-N
- PubChem CID
- 243
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Benzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Benzoic acid; not experimental data.
Related molecules
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.