Molecular properties
- Formula
- C14H20O2
- Molar mass
- 220.31 g·mol−1
- Exact mass
- 220.1463 Da
- 5
- PubChem CID
- 101297361
Molecule record
3-heptylbenzoic acid
C14H20O2
220.31 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
- AKOS037621681
Structure identifiers
- Canonical SMILES
- CCCCCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C14H20O2/c1-2-3-4-5-6-8-12-9-7-10-13(11-12)14(15)16/h7,9-11H,2-6,8H2,1H3,(H,15,16)
- InChIKey
- FSAPTCDIKRSNIK-UHFFFAOYSA-N
- PubChem CID
- 101297361
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-heptylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-heptylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.