ChemSpider 2D Image | 4-(6-Acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoic acid | C22H16O8

4-(6-Acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoic acid

  • Molecular FormulaC22H16O8
  • Average mass408.358 Da
  • Monoisotopic mass408.084503 Da
  • ChemSpider ID34497477

More details:

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

4-(6-Acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(6-Acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(6-acétyl-5-hydroxy-4-méthyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-10-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(6-acetyl-9,10-dihydro-5-hydroxy-4-methyl-2,8-dioxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl)- [ACD/Index Name]
1676082-08-8 [RN]
4-(6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)benzoic acid
4-(6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl)benzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 651.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 232.3±25.0 °C
    Index of Refraction: 1.658
    Molar Refractivity: 101.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 34.88
    ACD/KOC (pH 5.5): 179.37
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.36
    Polar Surface Area: 127 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 65.5±3.0 dyne/cm
    Molar Volume: 276.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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