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Molecule record

3-formylbenzoic acid

C8H6O3

150.13 g/mol

Loading structure

Molecular properties

Formula
C8H6O3
Molar mass
150.13 g·mol−1
Exact mass
150.0317 Da
6
PubChem CID
12077

Functional groups

Aldehyde
Aromatic ring
Carboxylic acid

Physical properties

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

Common names and synonyms

  • 210-585-6
  • 3-Carboxybenzaldehyde
  • 3-Formylbenzoic acid #
  • 3-FormylbenzoicAcid
  • 3-carboxy-benzaldehyde
  • 3-formyl benzoic acid
  • 3-ormylbenzoic acid
  • 619-21-6
Show all 24 synonyms
  • Benzoic acid, 3-formyl-
  • DTXCID7043168
  • DTXSID0060696
  • EINECS 210-585-6
  • FORMYL BENZOIC ACID, M-
  • HB95GRM95D
  • InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
  • Isophthalaldehydic acid
  • Isophthalaldehydsaure
  • MFCD00039575
  • RefChem:499577
  • UHDNUPHSDMOGCR-UHFFFAOYSA-
  • UNII-H
  • UNII-HB95GRM95D
  • m-CARBOXYBENZALDEHYDE
  • m-Formyl benzoic acid

Structure identifiers

Canonical SMILES
O=Cc1cccc(C(=O)O)c1
Isomeric SMILES
C1=CC(=CC(=C1)C(=O)O)C=O
InChI
InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
InChIKey
UHDNUPHSDMOGCR-UHFFFAOYSA-N
PubChem CID
12077

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-formylbenzoic acid; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

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

PubChem(link only)
Open source record