ChemSpider 2D Image | 3-methyl-4,5-dihydro-5-isoxazolecarboxylic acid | C5H7NO3

3-methyl-4,5-dihydro-5-isoxazolecarboxylic acid

  • Molecular FormulaC5H7NO3
  • Average mass129.114 Da
  • Monoisotopic mass129.042587 Da
  • ChemSpider ID21436432

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

3-Methyl-4,5-dihydro-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
3-methyl-4,5-dihydro-5-isoxazolecarboxylic acid
3-Methyl-4,5-dihydroisoxazole-5-carboxylic acid
473700-52-6 [RN]
5-Isoxazolecarboxylic acid, 4,5-dihydro-3-methyl- [ACD/Index Name]
Acide 3-méthyl-4,5-dihydro-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylicacid
3-Methyl-4,5-dihydro-isoxazole-5-carboxylic acid
3-methyl-4,5-dihydro-isoxazole-5-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD11048467 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 267.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±6.0 kJ/mol
    Flash Point: 115.6±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 29.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): -2.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 59 Å2
    Polarizability: 11.5±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 89.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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