Molecular properties
- Formula
- C18H28O2
- Molar mass
- 276.42 g·mol−1
- Exact mass
- 276.2089 Da
- 5
- PubChem CID
- 101297375
Molecule record
3-undecylbenzoic acid
C18H28O2
276.42 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
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCCCCCCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(15-16)18(19)20/h11,13-15H,2-10,12H2,1H3,(H,19,20)
- InChIKey
- ZEACEAZUOZBHCE-UHFFFAOYSA-N
- PubChem CID
- 101297375
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-undecylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-undecylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.