Molecular properties
- Formula
- C12H16O2
- Molar mass
- 192.26 g·mol−1
- Exact mass
- 192.1150 Da
- 5
- PubChem CID
- 57094289
Molecule record
3-pentylbenzoic acid
C12H16O2
192.26 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
- AKOS037621809
- JTINGUIQCRFLQP-UHFFFAOYSA-N
- SCHEMBL443913
- SCHEMBL8764503
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(C(=O)O)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)C(=O)O
- InChI
- InChI=1S/C12H16O2/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h5,7-9H,2-4,6H2,1H3,(H,13,14)
- InChIKey
- JTINGUIQCRFLQP-UHFFFAOYSA-N
- PubChem CID
- 57094289
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-pentylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-pentylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.