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Molecule record

benzene-1,3-dicarbaldehyde

C8H6O2

134.13 g/mol

Loading structure

Molecular properties

Formula
C8H6O2
Molar mass
134.13 g·mol−1
Exact mass
134.0368 Da
6
PubChem CID
34777

Functional groups

Aldehyde
Aromatic ring

Physical properties

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

Common names and synonyms

  • 1,3-Benzenedicarboxaldehyde
  • 1,3-Benzenedicarboxaldehyde (9CI)
  • 1,3-benzenedialdehyde
  • 210-935-8
  • 3-formylbenzaldehyde
  • 4-07-00-02139 (Beilstein Handbook Reference)
  • 626-19-7
  • BRN 1561038
Show all 24 synonyms
  • Benzene-1,3-dicarboxaldehyde
  • DTXCID90818414
  • DTXSID30870718
  • EINECS 210-935-8
  • HSDB 8459
  • InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6
  • Isophtaldehydes
  • Isophtaldehydes [French]
  • Isophthalaldehyde
  • Isophthaldehyde
  • Isophthaldialdehyde
  • LU162B2N9X
  • NSC 5092
  • RefChem:792063
  • iso-phthalaldehyde
  • m-Phthalaldehyde

Structure identifiers

Canonical SMILES
O=Cc1cccc(C=O)c1
Isomeric SMILES
C1=CC(=CC(=C1)C=O)C=O
InChI
InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
InChIKey
IZALUMVGBVKPJD-UHFFFAOYSA-N
PubChem CID
34777

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 benzene-1,3-dicarbaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for benzene-1,3-dicarbaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record