Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 139037
Molecule record
3-tert-butylbenzoic 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-(1,1-Dimethylethyl)benzoic acid
- 3-(tert-Butyl)benzoicacid
- 3-t-butylbenzoic acid
- 3-tert-Butyl-benzoic acid
- 7498-54-6
- AE-562/12222709
- AKOS006344195
- BENZOIC ACID, M-TERT-BUTYL-
Show all 24 synonyms
- BF4ZW1Y08W
- Benzoic acid, 3-(1,1-dimethylethyl)-
- CHEMBL306207
- DTXCID60148432
- DTXSID30225941
- MFCD01463861
- NSC-407552
- NSC407552
- Q27274632
- RefChem:154890
- SCHEMBL179538
- SCHEMBL2173132
- UNII-BF4ZW1Y08W
- benzoic acid, 3-tert-butyl-
- m-t-butylbenzoic acid
- m-tert-butylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1cccc(C(=O)O)c1
- Isomeric SMILES
- CC(C)(C)C1=CC=CC(=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
- InChIKey
- PWEJHEZAHNQSHP-UHFFFAOYSA-N
- PubChem CID
- 139037
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-tert-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-tert-butylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.