ChemSpider 2D Image | Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(4-oxo-4H-chromen-3-yl)propanoate | C22H16O7

Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(4-oxo-4H-chromen-3-yl)propanoate

  • Molecular FormulaC22H16O7
  • Average mass392.358 Da
  • Monoisotopic mass392.089600 Da
  • ChemSpider ID32511439

More details:

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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-2-oxo-β-(4-oxo-4H-1-benzopyran-3-yl)-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-2-oxo-2H-chromén-3-yl)-3-(4-oxo-4H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(4-oxo-4H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(4-oxo-4H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1619263-58-9 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 611.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.5±3.0 kJ/mol
    Flash Point: 218.2±25.0 °C
    Index of Refraction: 1.658
    Molar Refractivity: 99.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 9.66
    ACD/KOC (pH 5.5): 89.37
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.54
    Polar Surface Area: 99 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 66.7±3.0 dyne/cm
    Molar Volume: 269.8±3.0 cm3

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