5,6,7,8-tetramethoxy-2H-chromen-2-one

• ChemBase ID: 304385
• Molecular Formular: C13H14O6
• Molecular Mass: 266.24666
• Monoisotopic Mass: 266.07903817
• SMILES: c1(c(c(c2c(c1OC)ccc(=O)o2)OC)OC)OC
• Canonical SMILES: COc1c(OC)c2oc(=O)ccc2c(c1OC)OC
• InChI: InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
• InChIKey: FEGDYUCKOYJQOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetramethoxy-2H-chromen-2-one
• IUPAC Traditional name: 5,6,7,8-tetramethoxychromen-2-one
• Synonyms: 5,6,7,8-Tetramethoxycoumarin

Database IDs

• CAS Number: 56317-15-8

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1526746
• LogD (pH = 7.4): 1.1526746
• Log P: 1.1526746
• Molar Refractivity: 67.4014 cm^3
• Polarizability: 25.860386 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil