Molecular properties
- Formula
- C14H20O2
- Molar mass
- 220.31 g·mol−1
- Exact mass
- 220.1463 Da
- 5
- PubChem CID
- 170036
Molecule record
4-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
- 253-894-1
- 38350-87-7
- 4-Heptylbenzoic Acid, 98%
- 4-Heptylbenzoic acid, 97%
- 4-Heptylbenzoicacid
- 4-n-heptylbenzoic acid
- AKOS002685623
- ALBB-020644
Show all 24 synonyms
- AS-57329
- Benzoic acid, 4-heptyl-
- CHEMBL1161942
- CS-W014248
- DTXCID6039477
- DTXSID9068089
- EINECS 253-894-1
- H0774
- MFCD00009722
- RefChem:565991
- SBB057137
- SCHEMBL503648
- SCHEMBL9113895
- SE3Y941HMO
- UNII-SE3Y941HMO
- p-Heptylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCCCc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCCCCCCC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
- InChIKey
- VSUKEWPHURLYTK-UHFFFAOYSA-N
- PubChem CID
- 170036
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 4-heptylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.