Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 14224246
Molecule record
2-(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
- 100058-55-7
- 2-isobutylbenzoic acid
- 2-isobutylbenzoicacid
- 882-694-2
- AEA05855
- AKOS013201179
- Benzoic acid, 2-(2-methylpropyl)-
- DB-421926
Show all 20 synonyms
- DTXCID50508425
- DTXSID80557643
- EN300-177374
- F86957
- F959526
- MFCD19598685
- PSHADDQTSCEAHY-UHFFFAOYSA-N
- RefChem:250946
- SCHEMBL157592
- Z1171157982
- isobutyl benzoic acid
- isobutylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)Cc1ccccc1C(=O)O
- Isomeric SMILES
- CC(C)CC1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-8(2)7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
- InChIKey
- PSHADDQTSCEAHY-UHFFFAOYSA-N
- PubChem CID
- 14224246
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-(2-methylpropyl)benzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(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.