Molecule record

3-propoxybenzoic acid

C10H12O3

180.20 g/mol

Loading structure

Molecular properties

Formula
C10H12O3
Molar mass
180.20 g·mol−1
Exact mass
180.0786 Da
5
PubChem CID
586799

Functional groups

Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 190965-42-5
  • 3-Propoxy-benzoic acid
  • 3-n-Propoxybenzoic acid
  • 3-propoxybenzoicacid
  • 872-528-7
  • AKOS000113919
  • ALBB-000776
  • BBL013405
Show all 24 synonyms
  • Benzoic acid, 3-propoxy-
  • CHEMBL1612400
  • ChemDiv2_002184
  • DTXCID90294118
  • DTXSID30343038
  • HMS1375D06
  • HMS2341N14
  • MFCD01993660
  • MLS000043924
  • RefChem:505049
  • SBB012667
  • SCHEMBL2003637
  • SCHEMBL609434
  • SMR000021135
  • ST039397
  • STK397253

Structure identifiers

Canonical SMILES
CCCOc1cccc(C(=O)O)c1
Isomeric SMILES
CCCOC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H,11,12)
InChIKey
ZMXUPQVAIFGMPS-UHFFFAOYSA-N
PubChem CID
586799

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-propoxybenzoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-propoxybenzoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record