ChemSpider 2D Image | Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate | C23H22O9

Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

  • Molecular FormulaC23H22O9
  • Average mass442.415 Da
  • Monoisotopic mass442.126373 Da
  • ChemSpider ID32511460

More details:

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

2H-1-Benzopyran-3-propanoic acid, β-[4-(acetyloxy)-3,5-dimethoxyphenyl]-4-hydroxy-2-oxo-, methyl ester [ACD/Index Name]
3-(4-Acétoxy-3,5-diméthoxyphényl)-3-(4-hydroxy-2-oxo-2H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1630831-45-6 [RN]
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)propanoate
MolPort-035-701-084

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 591.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.8±3.0 kJ/mol
    Flash Point: 201.7±23.6 °C
    Index of Refraction: 1.592
    Molar Refractivity: 110.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 23.45
    ACD/KOC (pH 5.5): 168.57
    ACD/LogD (pH 7.4): 0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.91
    Polar Surface Area: 118 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 55.3±3.0 dyne/cm
    Molar Volume: 327.8±3.0 cm3

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