ChemSpider 2D Image | 4-(hydroxymethyl)-5-methylisoxazole-3-carboxylic acid | C6H7NO4

4-(hydroxymethyl)-5-methylisoxazole-3-carboxylic acid

  • Molecular FormulaC6H7NO4
  • Average mass157.124 Da
  • Monoisotopic mass157.037506 Da
  • ChemSpider ID23079616

More details:

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

1134333-99-5 [RN]
3-Isoxazolecarboxylic acid, 4-(hydroxymethyl)-5-methyl- [ACD/Index Name]
4-(Hydroxymethyl)-5-methyl-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-(Hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
4-(hydroxymethyl)-5-methylisoxazole-3-carboxylic acid
Acide 4-(hydroxyméthyl)-5-méthyl-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD12030889 [MDL number]
[1134333-99-5] [RN]
4-(hydroxymethyl)-5-methyl-3-isoxazolecarboxylic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 396.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 193.8±26.5 °C
    Index of Refraction: 1.558
    Molar Refractivity: 34.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.51
    ACD/LogD (pH 5.5): -2.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 13.8±0.5 10-24cm3
    Surface Tension: 66.6±3.0 dyne/cm
    Molar Volume: 108.1±3.0 cm3

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