ChemSpider 2D Image | 5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid | C6H5N3O2

5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC6H5N3O2
  • Average mass151.123 Da
  • Monoisotopic mass151.038177 Da
  • ChemSpider ID24191392

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-cyano-1-methyl- [ACD/Index Name]
5-Cyan-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
81303-59-5 [RN]
Acide 5-cyano-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-cyano-1-methyl- (9CI)
5-CYANO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
MFCD18809708

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 401.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 196.9±24.6 °C
    Index of Refraction: 1.634
    Molar Refractivity: 38.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): -2.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 59.7±7.0 dyne/cm
    Molar Volume: 106.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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