ChemSpider 2D Image | 3-isobutylisoxazole-5-carboxylic acid | C8H11NO3

3-isobutylisoxazole-5-carboxylic acid

  • Molecular FormulaC8H11NO3
  • Average mass169.178 Da
  • Monoisotopic mass169.073898 Da
  • ChemSpider ID21436388

More details:

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

3-(2-methylpropyl)-1,2-oxazole-5-carboxylic acid
3-Isobutyl-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Isobutyl-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
3-isobutylisoxazole-5-carboxylic acid
5-Isoxazolecarboxylic acid, 3-(2-methylpropyl)- [ACD/Index Name]
910321-93-6 [RN]
Acide 3-isobutyl-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
[910321-93-6] [RN]
3-(2-methylpropyl)isoxazole-5-carboxylic acid
3-Isobutyl-5-isoxazolecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08059886 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 321.1±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 148.0±24.6 °C
    Index of Refraction: 1.499
    Molar Refractivity: 42.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): -1.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 144.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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