ChemSpider 2D Image | 2-Hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1H-indene-1,3(2H)-dione | C17H12O7

2-Hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1H-indene-1,3(2H)-dione

  • Molecular FormulaC17H12O7
  • Average mass328.273 Da
  • Monoisotopic mass328.058289 Da
  • ChemSpider ID27330290

More details:

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

1H-Indene-1,3(2H)-dione, 2-hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]- [ACD/Index Name]
2-Hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-Hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
2-Hydroxy-2-[2-(4-hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-2-oxoéthyl]-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
1263035-41-1 [RN]
2-Hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxo-ethyl]-indan-1,3-dione
2-hydroxy-2-[2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-oxoethyl]indene-1,3-dione

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 606.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.7±3.0 kJ/mol
    Flash Point: 228.0±25.0 °C
    Index of Refraction: 1.679
    Molar Refractivity: 77.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.96
    ACD/KOC (pH 5.5): 40.43
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 81.9±3.0 dyne/cm
    Molar Volume: 205.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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