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Molecule record

1,3-benzodioxole-5-carbaldehyde

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
8438

Functional groups

Aldehyde
Alkane / alkyl carbon
Aromatic ring
Ether

Physical properties

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

Common names and synonyms

  • 1,3-Benzodioxole-5-carboxaldehyde
  • 120-57-0
  • 2H-1,3-Benzodioxole-5-Carbaldehyde
  • 3,4-Dihydroxybenzaldehyde methylene ketal
  • 3,4-Dimethylenedioxybenzaldehyde
  • 3,4-Methylenedioxybenzaldehyde
  • 5-Formyl-1,3-benzodioxole
  • Benzaldehyde, 3,4-(methylenedioxy)-
Show all 24 synonyms
  • CHEBI:8240
  • DIOXYMETHYLENEPROTOCATECHUIC ALDEHYDE
  • DTXCID505924
  • DTXSID7025924
  • Dioxymethylene protocatechuic aldehyde
  • FEMA No. 2911
  • Geliotropin
  • Heliotropin
  • Heliotropine
  • KE109YAK00
  • NSC-26826
  • PIPERONAL
  • Piperonaldehyde
  • Piperonyl aldehyde
  • Piperonylaldehyde
  • Protocatechuic aldehyde methylene ether

Structure identifiers

Canonical SMILES
O=Cc1ccc2c(c1)OCO2
Isomeric SMILES
C1OC2=C(O1)C=C(C=C2)C=O
InChI
InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey
SATCULPHIDQDRE-UHFFFAOYSA-N
PubChem CID
8438

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 1,3-benzodioxole-5-carbaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-benzodioxole-5-carbaldehyde; 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
1,3-benzodioxole-5-carbaldehyde - Formula, Structure | ChemArche