3-methoxyfuran

• ChemBase ID: 304225
• Molecular Formular: C5H6O2
• Molecular Mass: 98.09994
• Monoisotopic Mass: 98.03677943
• SMILES: c1(cocc1)OC
• Canonical SMILES: COc1cocc1
• InChI: InChI=1S/C5H6O2/c1-6-5-2-3-7-4-5/h2-4H,1H3
• InChIKey: VMMAQHURVWNQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxyfuran
• IUPAC Traditional name: 3-methoxyfuran
• Synonyms: 3-Methoxyfuran

Database IDs

• CAS Number: 3420-57-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9558201
• LogD (pH = 7.4): 0.9558201
• Log P: 0.9558201
• Molar Refractivity: 25.0346 cm^3
• Polarizability: 9.730264 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 99.0