5-(5-formylfuran-2-yl)furan-2-carbaldehyde

• ChemBase ID: 239634
• Molecular Formular: C10H6O4
• Molecular Mass: 190.15224
• Monoisotopic Mass: 190.02660867
• SMILES: c1(c2oc(cc2)C=O)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)c1ccc(o1)C=O
• InChI: InChI=1S/C10H6O4/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H
• InChIKey: ZTHGULBLQLJTSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-formylfuran-2-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(5-formylfuran-2-yl)furan-2-carbaldehyde
• Synonyms: 5-(5-formylfuran-2-yl)furan-2-carbaldehyde

Database IDs

• MDL Number: MFCD07364181
• PubChem SID: 164295544
• PubChem CID: 605367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0059714
• LogD (pH = 7.4): 1.0059714
• Log P: 1.0059714
• Molar Refractivity: 48.899 cm^3
• Polarizability: 18.850044 Å^3
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.61

Product Information

• Purity: 95%