ChemSpider 2D Image | 5-Oxotetrahydro-2H-thiopyran-2,2-dicarboxylic acid | C7H8O5S

5-Oxotetrahydro-2H-thiopyran-2,2-dicarboxylic acid

  • Molecular FormulaC7H8O5S
  • Average mass204.200 Da
  • Monoisotopic mass204.009247 Da
  • ChemSpider ID35516213

More details:

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

2H-Thiopyran-2,2-dicarboxylic acid, tetrahydro-5-oxo- [ACD/Index Name]
5-Oxotetrahydro-2H-thiopyran-2,2-dicarbonsäure [German] [ACD/IUPAC Name]
5-Oxotetrahydro-2H-thiopyran-2,2-dicarboxylic acid [ACD/IUPAC Name]
Acide 5-oxotétrahydro-2H-thiopyrane-2,2-dicarboxylique [French] [ACD/IUPAC Name]
1935549-51-1 [RN]
5-Oxo-tetrahydro-thiopyran-2,2-dicarboxylic acid
MFCD28954933

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 499.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±6.0 kJ/mol
    Flash Point: 255.9±28.7 °C
    Index of Refraction: 1.610
    Molar Refractivity: 43.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.01
    ACD/LogD (pH 5.5): -4.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 117 Å2
    Polarizability: 17.2±0.5 10-24cm3
    Surface Tension: 83.5±3.0 dyne/cm
    Molar Volume: 125.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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