2-(furan-2-carbonyl)furan

• ChemBase ID: 238398
• Molecular Formular: C9H6O3
• Molecular Mass: 162.14214
• Monoisotopic Mass: 162.03169405
• SMILES: C(=O)(c1occc1)c1occc1
• Canonical SMILES: O=C(c1ccco1)c1ccco1
• InChI: InChI=1S/C9H6O3/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6H
• InChIKey: HMKCSFHWMJHMTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-carbonyl)furan
• IUPAC Traditional name: 2-(furan-2-carbonyl)furan
• Synonyms: 2-[(furan-2-yl)carbonyl]furan

Database IDs

• MDL Number: MFCD16086758
• PubChem SID: 164294308
• PubChem CID: 11030137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5530921
• LogD (pH = 7.4): 1.5530921
• Log P: 1.5530921
• Molar Refractivity: 41.4153 cm^3
• Polarizability: 15.752474 Å^3
• Polar Surface Area: 43.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.532

Product Information

• Purity: 95%