Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 23588190
Molecule record
3-(2-methylpropyl)benzoic acid
C11H14O2
178.23 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-Isobutyl-benzoic acid
- 3-isobutylbenzoic acid
- 565450-43-3
- A1-33137
- AKOS013201386
- CKRIXBYUPYKARN-UHFFFAOYSA-N
- CS-0223118
- DA-19098
Show all 14 synonyms
- EN300-113982
- MFCD09959725
- SCHEMBL17046288
- SCHEMBL5856499
- SCHEMBL765921
- Z1171157984
Structure identifiers
- Canonical SMILES
- CC(C)Cc1cccc(C(=O)O)c1
- Isomeric SMILES
- CC(C)CC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-8(2)6-9-4-3-5-10(7-9)11(12)13/h3-5,7-8H,6H2,1-2H3,(H,12,13)
- InChIKey
- CKRIXBYUPYKARN-UHFFFAOYSA-N
- PubChem CID
- 23588190
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-(2-methylpropyl)benzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-(2-methylpropyl)benzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.