ChemSpider 2D Image | 1-(1,2-Oxazol-4-ylsulfonyl)-3-azetidinecarboxylic acid | C7H8N2O5S

1-(1,2-Oxazol-4-ylsulfonyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC7H8N2O5S
  • Average mass232.214 Da
  • Monoisotopic mass232.015396 Da
  • ChemSpider ID30768917

More details:

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

1-(1,2-Oxazol-4-ylsulfonyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(1,2-Oxazol-4-ylsulfonyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-(4-isoxazolylsulfonyl)- [ACD/Index Name]
Acide 1-(1,2-oxazol-4-ylsulfonyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(1,2-oxazol-4-ylsulfonyl)azetidine-3-carboxylic acid
1-(1,2-oxazole-4-sulfonyl)azetidine-3-carboxylic acid
1-(isoxazol-4-ylsulfonyl)azetidine-3-carboxylic acid
1706453-29-3 [RN]
F2158-1869
MFCD26792918

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 508.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 261.3±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 47.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.32
    ACD/LogD (pH 5.5): -2.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 79.9±3.0 dyne/cm
    Molar Volume: 137.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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