ChemSpider 2D Image | Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C19H20O8

Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID29771606

More details:

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

1,4-Benzodioxin-6-propanoic acid, 2,3-dihydro-β-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-, methyl ester [ACD/Index Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1574492-46-8 [RN]
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 562.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 200.6±23.6 °C
    Index of Refraction: 1.582
    Molar Refractivity: 92.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 8.85
    ACD/KOC (pH 5.5): 165.49
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 6.34
    ACD/KOC (pH 7.4): 118.48
    Polar Surface Area: 101 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 276.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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