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Molecule record

FURAN

C4H4O

68.07 g/mol

2D structure for FURAN

Molecular properties

Formula
C4H4O
Molar mass
68.07 g·mol−1
Exact mass
68.0262 Da
3
0
1
13.10 Ų
1.3 (PubChem computed XLogP3-AA descriptor)
CAS
110-00-9
PubChem CID
8029

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring
Ether
Phenol

Physical properties

PropertyValueConditionsSource
Logp1.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,4-Epoxy-1,3-butadiene
  • 110-00-9
  • 203-727-3
  • Axole
  • CHEBI:35559
  • DTXCID20646
  • DTXSID6020646
  • Divinylene oxide
Show all 22 synonyms
  • Furan (98%)
  • Furan (stabilized with BHT)
  • Furane
  • Furfuran
  • Furfurane
  • MFCD00003222
  • NCI-C56202
  • Oxacyclopentadiene
  • Oxole
  • Oxycyclopentadiene
  • RCRA waste number U124
  • RefChem:5845
  • Tetrole
  • UC0XV6A8N9

Structure identifiers

Canonical SMILES
C1=COC=C1
Isomeric SMILES
C1=COC=C1
InChI
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
InChIKey
YLQBMQCUIZJEEH-UHFFFAOYSA-N
PubChem CID
8029

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for FURAN; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for FURAN; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record