(2E)-1,3-bis(furan-2-yl)prop-2-en-1-one

• ChemBase ID: 192639
• Molecular Formular: C11H8O3
• Molecular Mass: 188.17942
• Monoisotopic Mass: 188.04734412
• SMILES: c1(C(=O)/C=C/c2occc2)occc1
• Canonical SMILES: O=C(c1ccco1)/C=C/c1ccco1
• InChI: InChI=1S/C11H8O3/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
• InChIKey: CJSUJEFIWCHVLJ-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-1,3-bis(furan-2-yl)prop-2-en-1-one
• IUPAC Traditional name: (2E)-1,3-bis(furan-2-yl)prop-2-en-1-one

Database IDs

• PubChem SID: 164248549
• PubChem CID: 5705708

CALCULATED PROPERTIES

• Acid pKa: 13.238216
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0108185
• LogD (pH = 7.4): 2.0108182
• Log P: 2.0108185
• Molar Refractivity: 51.6588 cm^3
• Polarizability: 19.083616 Å^3
• Polar Surface Area: 43.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds