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ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(5-methyl-2-furyl)propanoate | C15H16O6

Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(5-methyl-2-furyl)propanoate

  • Molecular FormulaC15H16O6
  • Average mass292.284 Da
  • Monoisotopic mass292.094696 Da
  • ChemSpider ID29772013

More details:

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

3-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-3-(5-méthyl-2-furyl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-methyl-β-(5-methyl-2-furanyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(5-methyl-2-furyl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(5-methyl-2-furyl)propanoat [German] [ACD/IUPAC Name]
1574398-19-8 [RN]
METHYL 3-(3-HYDROXY-6-METHYL-4-OXO-4H-PYRAN-2-YL)-3-(5-METHYLFURAN-2-YL)PROPANOATE
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(5-methylfuran-2-yl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 443.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 221.9±28.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 72.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 13.48
    ACD/KOC (pH 5.5): 223.73
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 10.30
    ACD/KOC (pH 7.4): 170.99
    Polar Surface Area: 86 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 222.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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