ChemSpider 2D Image | Methyl 3-(6-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate | C29H23NO9

Methyl 3-(6-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID30717827

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(6-Méthoxy-2-oxo-1,2-dihydro-3-quinoléinyl)-3-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
3-Quinolinepropanoic acid, 1,2-dihydro-6-methoxy-2-oxo-β-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, methyl ester [ACD/Index Name]
Methyl 3-(6-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(6-methoxy-2-oxo-1,2-dihydro-3-chinolinyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoat [German] [ACD/IUPAC Name]
1574344-99-2 [RN]
methyl 3-(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate
methyl 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
MolPort-029-885-992
MolPort-030-000-085

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 870.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.9±3.0 kJ/mol
    Flash Point: 480.4±34.3 °C
    Index of Refraction: 1.681
    Molar Refractivity: 136.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 4.50
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 360.61
    ACD/KOC (pH 5.5): 2100.70
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 6.55
    ACD/KOC (pH 7.4): 38.16
    Polar Surface Area: 152 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 69.2±3.0 dyne/cm
    Molar Volume: 361.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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