3-Methylfuran

C₅H₆OCAS 930-27-882.10 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed86.4% of notifiers
H331 Toxic if inhaled88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P316, P321, P330, P403+P233, P405, P501

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 3-Furanboronic acid55552-70-035 % similar Di-p-tolyl613-33-233 % similar Methyl furan-3-carboxylate13129-23-232 % 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