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

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

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID27329896

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-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-, ethyl ester [ACD/Index Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324095-31-9 [RN]
AGN-PC-09RJIY
AKOS005762251
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
MCULE-2507220893
MolPort-019-826-531
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 613.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±3.0 kJ/mol
    Flash Point: 220.9±25.0 °C
    Index of Refraction: 1.604
    Molar Refractivity: 92.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.47
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 10.58
    ACD/KOC (pH 5.5): 188.18
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 8.43
    ACD/KOC (pH 7.4): 150.00
    Polar Surface Area: 112 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 61.6±3.0 dyne/cm
    Molar Volume: 267.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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