ChemSpider 2D Image | Ethyl 3-[3-(allyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C20H22O7

Ethyl 3-[3-(allyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID27320676

More details:

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

3-[3-(Allyloxy)phényl]-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-4-oxo-β-[3-(2-propen-1-yloxy)phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-(allyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-[3-(allyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324084-96-9 [RN]
AGN-PC-09RH62
AKOS005752244
ethyl 3-(3-(allyloxy)phenyl)-3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[3-(prop-2-en-1-yloxy)phenyl]propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(3-prop-2-enoxyphenyl)propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 598.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.8±3.0 kJ/mol
    Flash Point: 211.8±23.6 °C
    Index of Refraction: 1.581
    Molar Refractivity: 97.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.50
    ACD/KOC (pH 5.5): 401.55
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 24.52
    ACD/KOC (pH 7.4): 322.76
    Polar Surface Area: 102 Å2
    Polarizability: 38.4±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 290.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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