2-(oxiran-2-yl)furan

• ChemBase ID: 256385
• Molecular Formular: C6H6O2
• Molecular Mass: 110.11064
• Monoisotopic Mass: 110.03677943
• SMILES: O1C(C1)c1occc1
• Canonical SMILES: c1coc(c1)C1CO1
• InChI: InChI=1S/C6H6O2/c1-2-5(7-3-1)6-4-8-6/h1-3,6H,4H2
• InChIKey: SLPZDKCYRLRLED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxiran-2-yl)furan
• IUPAC Traditional name: 2-(oxiran-2-yl)furan
• Synonyms: 2-oxiran-2-ylfuran

Database IDs

• MDL Number: MFCD00043137
• PubChem SID: 164312295
• PubChem CID: 5323927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.79751134
• LogD (pH = 7.4): 0.79751134
• Log P: 0.79751134
• Molar Refractivity: 27.7172 cm^3
• Polarizability: 10.857928 Å^3
• Polar Surface Area: 25.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.462

Product Information

• Purity: 95%