Molecular properties
- Formula
- C15H22O2
- Molar mass
- 234.34 g·mol−1
- Exact mass
- 234.1620 Da
- 5
- PubChem CID
- 53899176
Molecule record
3-octylbenzoic acid
C15H22O2
234.34 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
- AKOS037621767
- HVXGXUAVMOCVHB-UHFFFAOYSA-N
- SCHEMBL1876486
- SCHEMBL28062878
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCCCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C15H22O2/c1-2-3-4-5-6-7-9-13-10-8-11-14(12-13)15(16)17/h8,10-12H,2-7,9H2,1H3,(H,16,17)
- InChIKey
- HVXGXUAVMOCVHB-UHFFFAOYSA-N
- PubChem CID
- 53899176
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-octylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-octylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.