ChemSpider 2D Image | 5-Acetyl-3-isoxazolecarboxylic acid | C6H5NO4

5-Acetyl-3-isoxazolecarboxylic acid

  • Molecular FormulaC6H5NO4
  • Average mass155.108 Da
  • Monoisotopic mass155.021851 Da
  • ChemSpider ID21473297

More details:

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

145441-17-4 [RN]
3-Isoxazolecarboxylic acid, 5-acetyl- [ACD/Index Name]
5-Acetyl-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Acetyl-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-Acetyl-3-isoxazolecarboxylic acid
Acide 5-acétyl-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)
3-Isoxazolecarboxylicacid, 5-acetyl-
3-Isoxazolecarboxylicacid,5-acetyl-
5-Acetyl-3-carboxyisoxazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 402.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 197.3±24.6 °C
    Index of Refraction: 1.526
    Molar Refractivity: 33.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.32
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 13.3±0.5 10-24cm3
    Surface Tension: 58.4±3.0 dyne/cm
    Molar Volume: 109.5±3.0 cm3

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