Molecular properties
- Formula
- C13H18O2
- Molar mass
- 206.28 g·mol−1
- Exact mass
- 206.1307 Da
- 5
- PubChem CID
- 18417578
Molecule record
2-hexylbenzoic acid
C13H18O2
206.28 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
- 60534-93-2
- AKOS037622092
- DTXCID30544346
- DTXSID40593582
- RefChem:261468
- SCHEMBL4557198
- SCHEMBL503630
- SCHEMBL586009
Show all 10 synonyms
- YQIASAUDDDCAKU-UHFFFAOYSA-N
- hexylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCCc1ccccc1C(=O)O
- Isomeric SMILES
- CCCCCCC1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C13H18O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)
- InChIKey
- YQIASAUDDDCAKU-UHFFFAOYSA-N
- PubChem CID
- 18417578
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-hexylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-hexylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.