chempirical

3-Methylfuran

C5H6OCAS 930-27-882.10 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C5H6O
Molar mass
82.10 g/mol
Exact mass
82.0419 Da
Density
0.923 g/mL (at 18 °C)
Boiling point
66 °C
logP
1.59Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
930-27-8
SMILES
Cc1ccoc1
InChIKey
KJRRQXYWFQKJIP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names
  • Furan, 3-methyl-
  • NSC 346905

Work with 3-Methylfuran

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromofuran22037-28-139 % similar P-Xylene106-42-339 % similar Toluene108-88-335 % similar 3-Furanmethanol4412-91-335 % similar 3-Furancarboxaldehyde498-60-235 % similar Di-P-tolyl613-33-233 % similar Methyl furan-3-carboxylate13129-23-232 % similar 3-Hydroxy-4-pyrone496-63-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Cyclopenten-1-one14320-37-7 2-Methylfuran534-22-5 Cyclopentenone930-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia