4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene-7-carboxylic acid

• ChemBase ID: 310615
• Molecular Formular: C14H10O7
• Molecular Mass: 290.225
• Monoisotopic Mass: 290.04265266
• SMILES: c12c(oc(cc2=O)C(=O)O)c(c2c(c1OC)cco2)OC
• Canonical SMILES: COc1c2oc(cc(=O)c2c(c2c1occ2)OC)C(=O)O
• InChI: InChI=1S/C14H10O7/c1-18-10-6-3-4-20-11(6)13(19-2)12-9(10)7(15)5-8(21-12)14(16)17/h3-5H,1-2H3,(H,16,17)
• InChIKey: RQRSLXAHKHZWDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene-7-carboxylic acid
• IUPAC Traditional name: 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-7-carboxylic acid
• Synonyms: 4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene-7-carboxylic acid

Database IDs

• CAS Number: 25944-28-9
• MDL Number: MFCD00410875

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.0867224
• LogD (pH = 7.4): -2.3831236
• Log P: 1.140888
• Molar Refractivity: 70.3609 cm^3
• Polarizability: 27.487684 Å^3
• Polar Surface Area: 95.2 Å^2