ChemSpider 2D Image | 5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate | C8H13NO4S

5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate

  • Molecular FormulaC8H13NO4S
  • Average mass219.258 Da
  • Monoisotopic mass219.056534 Da
  • ChemSpider ID23375835

More details:

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

1105193-27-8 [RN]
3-(3-Methyl-1,2-oxazol-5-yl)propyl methanesulfonate [ACD/IUPAC Name]
3-(3-Methyl-1,2-oxazol-5-yl)propyl-methansulfonat [German] [ACD/IUPAC Name]
5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate
5-Isoxazolepropanol, 3-methyl-, methanesulfonate (ester) [ACD/Index Name]
Méthanesulfonate de 3-(3-méthyl-1,2-oxazol-5-yl)propyle [French] [ACD/IUPAC Name]
3-(3-Methyl-5-isoxazolyl)propyl methanesulfonate
AKOS005208547
F2147-0168
MFCD16653018
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 408.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 201.0±25.4 °C
    Index of Refraction: 1.492
    Molar Refractivity: 50.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.38
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 3.39
    ACD/KOC (pH 5.5): 83.37
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 3.39
    ACD/KOC (pH 7.4): 83.37
    Polar Surface Area: 78 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 175.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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