ChemSpider 2D Image | 1H-1,2,4-Triazole-3,5-dicarboxylic acid | C4H3N3O4

1H-1,2,4-Triazole-3,5-dicarboxylic acid

  • Molecular FormulaC4H3N3O4
  • Average mass157.084 Da
  • Monoisotopic mass157.012360 Da
  • ChemSpider ID26947946

More details:

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

1H-1,2,4-Triazol-3,5-dicarbonsäure [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3,5-dicarboxylic acid [ACD/IUPAC Name]
4H-1,2,4-Triazole-3,5-dicarboxylic acid [ACD/Index Name]
Acide 1H-1,2,4-triazole-3,5-dicarboxylique [French] [ACD/IUPAC Name]
1,2,4-triazole-3,5-dicarboxylic acid
34550-41-9 [RN]
MFCD20621118

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 643.9±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.8±3.0 kJ/mol
    Flash Point: 343.2±26.8 °C
    Index of Refraction: 1.703
    Molar Refractivity: 30.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.50
    ACD/LogD (pH 5.5): -4.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 12.2±0.5 10-24cm3
    Surface Tension: 154.5±3.0 dyne/cm
    Molar Volume: 79.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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