ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-thienyl)propanoate | C15H16O6S

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

  • Molecular FormulaC15H16O6S
  • Average mass324.349 Da
  • Monoisotopic mass324.066772 Da
  • ChemSpider ID28634808

More details:

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

3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(3-thiényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-4-oxo-β-3-thienyl-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-thienyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-thienyl)propanoat [German] [ACD/IUPAC Name]
1324058-24-3 [RN]
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(thiophen-3-yl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(thiophen-3-yl)propanoate
ETHYL 3-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]-3-(THIOPHEN-3-YL)PROPANOATE
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-thiophen-3-ylpropanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 568.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 297.5±30.1 °C
    Index of Refraction: 1.615
    Molar Refractivity: 79.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 8.88
    ACD/KOC (pH 5.5): 166.01
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.30
    ACD/KOC (pH 7.4): 136.48
    Polar Surface Area: 121 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 64.6±3.0 dyne/cm
    Molar Volume: 228.2±3.0 cm3

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