Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 13198601
Molecule record
3-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
- 20651-72-3
- 3-n-Butylbenzoic acid
- 3-n-Butylbenzoicacid
- AKOS026672061
- BDLOUJHJYJKMON-UHFFFAOYSA-N
- BS-50399
- Benzoic acid, 3-butyl-
- CS-0297416
Show all 24 synonyms
- D85937
- DB-208300
- DTXCID40477515
- DTXSID00526710
- EN300-768213
- MFCD17015437
- RefChem:277957
- SCHEMBL16960701
- SCHEMBL31124111
- SCHEMBL3387825
- SCHEMBL7841898
- SCHEMBL8758745
- SCHEMBL9171695
- SCHEMBL9671457
- SY273805
- m-butylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3,(H,12,13)
- InChIKey
- BDLOUJHJYJKMON-UHFFFAOYSA-N
- PubChem CID
- 13198601
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-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-butylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.