ChemSpider 2D Image | 5-(3-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID | C11H6N2O3

5-(3-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID

  • Molecular FormulaC11H6N2O3
  • Average mass214.177 Da
  • Monoisotopic mass214.037842 Da
  • ChemSpider ID28561130

More details:

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

3-Isoxazolecarboxylic acid, 5-(3-cyanophenyl)- [ACD/Index Name]
5-(3-Cyanophenyl)-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-(3-CYANOPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
5-(3-Cyanphenyl)-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
956360-07-9 [RN]
Acide 5-(3-cyanophényl)-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[956360-07-9] [RN]
5-(3-cyanophenyl)-3-Isoxazolecarboxylic acid
5-(3-Cyanophenyl)isoxazole-3-carboxylicAcid
6304-16-1 [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 504.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.5±3.0 kJ/mol
    Flash Point: 258.7±28.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 52.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.64
    ACD/LogD (pH 7.4): -1.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 79.9±5.0 dyne/cm
    Molar Volume: 145.9±5.0 cm3

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