ChemSpider 2D Image | Methyl 4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]benzoate | C26H18O10

Methyl 4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]benzoate

  • Molecular FormulaC26H18O10
  • Average mass490.415 Da
  • Monoisotopic mass490.089996 Da
  • ChemSpider ID30716909

More details:

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

4-[2-(3,4-Dihydroxyphényl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromén-10-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(3,4-dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-4,8-dioxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]benzoat [German] [ACD/IUPAC Name]
1574380-14-5 [RN]
methyl 4-(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)benzoate
methyl 4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 739.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.2±3.0 kJ/mol
    Flash Point: 255.0±26.4 °C
    Index of Refraction: 1.726
    Molar Refractivity: 121.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.89
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 127.44
    ACD/KOC (pH 5.5): 975.55
    ACD/LogD (pH 7.4): 1.62
    ACD/BCF (pH 7.4): 3.86
    ACD/KOC (pH 7.4): 29.57
    Polar Surface Area: 160 Å2
    Polarizability: 48.2±0.5 10-24cm3
    Surface Tension: 82.8±3.0 dyne/cm
    Molar Volume: 306.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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