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Search term: YQEQLRNLWUTTRS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-7-methyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-2,5-dione | C16H12O6

4-(1,3-Benzodioxol-5-yl)-7-methyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-2,5-dione

  • Molecular FormulaC16H12O6
  • Average mass300.263 Da
  • Monoisotopic mass300.063385 Da
  • ChemSpider ID34497627

More details:

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

2H,5H-Pyrano[4,3-b]pyran-2,5-dione, 4-(1,3-benzodioxol-5-yl)-3,4-dihydro-7-methyl- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-7-methyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-2,5-dion [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-7-methyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-2,5-dione [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-7-méthyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyrane-2,5-dione [French] [ACD/IUPAC Name]
1313876-98-0 [RN]
4-(1,3-benzodioxol-5-yl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
4-(benzo[d][1,3]dioxol-5-yl)-7-methyl-3,4-dihydropyrano[4,3-b]pyran-2,5-dione

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 520.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 234.5±30.2 °C
    Index of Refraction: 1.644
    Molar Refractivity: 73.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 2.12
    ACD/BCF (pH 5.5): 24.04
    ACD/KOC (pH 5.5): 338.93
    ACD/LogD (pH 7.4): 2.12
    ACD/BCF (pH 7.4): 24.04
    ACD/KOC (pH 7.4): 338.93
    Polar Surface Area: 71 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 61.2±5.0 dyne/cm
    Molar Volume: 202.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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