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

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

  • Molecular FormulaC15H16O6S
  • Average mass324.349 Da
  • Monoisotopic mass324.066772 Da
  • ChemSpider ID29344166

More details:

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

3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(3-thiényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(methoxymethyl)-4-oxo-β-3-thienyl-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-thienyl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-thienyl)propanoat [German] [ACD/IUPAC Name]
1574326-81-0 [RN]
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(thiophen-3-yl)propanoate
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(thiophen-3-yl)propanoate
METHYL 3-[3-HYDROXY-6-(METHOXYMETHYL)-4-OXOPYRAN-2-YL]-3-(THIOPHEN-3-YL)PROPANOATE
methyl 3-[3-hydroxy-6-(methoxymethyl)-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: 511.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 263.4±30.1 °C
    Index of Refraction: 1.589
    Molar Refractivity: 79.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.01
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.87
    ACD/KOC (pH 5.5): 216.47
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 9.66
    ACD/KOC (pH 7.4): 162.49
    Polar Surface Area: 110 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 237.0±3.0 cm3

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