Molecular properties
- Formula
- C16H24O2
- Molar mass
- 248.37 g·mol−1
- Exact mass
- 248.1776 Da
- 5
- PubChem CID
- 101297368
Molecule record
3-nonylbenzoic acid
C16H24O2
248.37 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
- CCCCCCCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCCCCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(13-14)16(17)18/h9,11-13H,2-8,10H2,1H3,(H,17,18)
- InChIKey
- PLHDMGWYSDGXDU-UHFFFAOYSA-N
- PubChem CID
- 101297368
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-nonylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nonylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.