Molecular properties
- Formula
- C10H12O2
- Molar mass
- 164.20 g·mol−1
- Exact mass
- 164.0837 Da
- 5
- PubChem CID
- 138552
Molecule record
3-propan-2-ylbenzoic acid
C10H12O2
164.20 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-(methylethyl)benzoic acid
- 3-Isopropylbenzoic acid
- 3-Isopropylbenzoic acid #
- 3-isopropyl-benzoic acid
- 3-propane-2-ylbenzoic acid
- 5651-47-8
- Benzoic acid, 3-(1-methylethyl)-
- DLYVSJDCQZVKMD-UHFFFAOYSA-N
Show all 24 synonyms
- DTXCID60127545
- DTXSID60205054
- FAA65147
- MFCD09038906
- NISTC5651478
- NSC 59899
- NSC59899
- RefChem:118385
- SCHEMBL105264
- SCHEMBL16960791
- SCHEMBL21268360
- SCHEMBL28827580
- SCHEMBL30444032
- SCHEMBL4957430
- SCHEMBL7460109
- m-isopropylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)c1cccc(C(=O)O)c1
- Isomeric SMILES
- CC(C)C1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
- InChIKey
- DLYVSJDCQZVKMD-UHFFFAOYSA-N
- PubChem CID
- 138552
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-propan-2-ylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-propan-2-ylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.