ChemSpider 2D Image | 5-(Pyrazin-2-yl)isoxazole-3-carboxylic acid | C8H5N3O3

5-(Pyrazin-2-yl)isoxazole-3-carboxylic acid

  • Molecular FormulaC8H5N3O3
  • Average mass191.144 Da
  • Monoisotopic mass191.033096 Da
  • ChemSpider ID28573035

More details:

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

1375064-55-3 [RN]
3-Isoxazolecarboxylic acid, 5-(2-pyrazinyl)- [ACD/Index Name]
5-(2-Pyrazinyl)-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(2-Pyrazinyl)-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-(Pyrazin-2-yl)isoxazole-3-carboxylic acid
Acide 5-(2-pyrazinyl)-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[1375064-55-3] [RN]
1-(2-CARBOXYPHENYL)PYRROLE
5-(2-PYRAZINYL)ISOXAZOLE-3-CARBOXYLIC ACID
5-(2-Pyrazinyl)isoxazole-3-carboxylicAcid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 476.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±3.0 kJ/mol
    Flash Point: 242.1±28.7 °C
    Index of Refraction: 1.600
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.58
    ACD/LogD (pH 5.5): -1.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 73.0±3.0 dyne/cm
    Molar Volume: 129.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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