ChemSpider 2D Image | 2,2'-(1,3-Benzodioxol-5-ylmethylene)bis(3-hydroxy-6-methyl-4H-pyran-4-one) | C20H16O8

2,2'-(1,3-Benzodioxol-5-ylmethylene)bis(3-hydroxy-6-methyl-4H-pyran-4-one)

  • Molecular FormulaC20H16O8
  • Average mass384.336 Da
  • Monoisotopic mass384.084503 Da
  • ChemSpider ID29770773

More details:

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

2,2'-(1,3-Benzodioxol-5-ylmethylen)bis(3-hydroxy-6-methyl-4H-pyran-4-on) [German] [ACD/IUPAC Name]
2,2'-(1,3-Benzodioxol-5-ylmethylene)bis(3-hydroxy-6-methyl-4H-pyran-4-one) [ACD/IUPAC Name]
2,2'-(1,3-Benzodioxol-5-ylméthylène)bis(3-hydroxy-6-méthyl-4H-pyran-4-one) [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-(1,3-benzodioxol-5-ylmethylene)bis[3-hydroxy-6-methyl- [ACD/Index Name]
1435992-38-3 [RN]
2-[1,3-benzodioxol-5-yl-(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]-3-hydroxy-6-methylpyran-4-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 658.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 239.6±25.0 °C
    Index of Refraction: 1.689
    Molar Refractivity: 93.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 4.70
    ACD/KOC (pH 5.5): 105.33
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 3.44
    ACD/KOC (pH 7.4): 76.98
    Polar Surface Area: 112 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 75.3±3.0 dyne/cm
    Molar Volume: 245.9±3.0 cm3

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