(8E)-4-methyl-8-[(2-nitrophenyl)methylidene]-2H,8H,9H-furo[2,3-h]chromene-2,9-dione

• ChemBase ID: 190251
• Molecular Formular: C19H11NO6
• Molecular Mass: 349.29374
• Monoisotopic Mass: 349.05863708
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2O/C(=C/c2c([N+](=O)[O-])cccc2)/C1=O
• Canonical SMILES: O=c1cc(C)c2c(o1)c1c(cc2)O/C(=C/c2ccccc2[N+](=O)[O-])/C1=O
• InChI: InChI=1S/C19H11NO6/c1-10-8-16(21)26-19-12(10)6-7-14-17(19)18(22)15(25-14)9-11-4-2-3-5-13(11)20(23)24/h2-9H,1H3/b15-9+
• InChIKey: LVRIRTHNCLIGKK-OQLLNIDSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8E)-4-methyl-8-[(2-nitrophenyl)methylidene]-2H,8H,9H-furo[2,3-h]chromene-2,9-dione
• IUPAC Traditional name: (8E)-4-methyl-8-[(2-nitrophenyl)methylidene]furo[2,3-h]chromene-2,9-dione

Database IDs

• PubChem SID: 164246161
• PubChem CID: 5404730

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.251767
• LogD (pH = 7.4): 3.251767
• Log P: 3.251767
• Molar Refractivity: 94.1436 cm^3
• Polarizability: 34.393612 Å^3
• Polar Surface Area: 98.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds