ChemSpider 2D Image | 5-(4-CARBOXYPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID | C11H7NO5

5-(4-CARBOXYPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID

  • Molecular FormulaC11H7NO5
  • Average mass233.177 Da
  • Monoisotopic mass233.032425 Da
  • ChemSpider ID28572759

More details:

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

1375064-71-3 [RN]
3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)- [ACD/Index Name]
5-(4-Carboxyphenyl)-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-Carboxyphenyl)-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-(4-CARBOXYPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
Acide 5-(4-carboxyphényl)-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[1375064-71-3] [RN]
1123-56-4 [RN]
50635-21-7 [RN]
MFCD22192330 [MDL number]
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: 558.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 291.5±28.7 °C
    Index of Refraction: 1.625
    Molar Refractivity: 55.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): -1.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 71.5±3.0 dyne/cm
    Molar Volume: 155.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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