ChemSpider 2D Image | 3-ethynyl-1-methylpyrazole | C6H6N2

3-ethynyl-1-methylpyrazole

  • Molecular FormulaC6H6N2
  • Average mass106.125 Da
  • Monoisotopic mass106.053101 Da
  • ChemSpider ID28604478

More details:

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

1H-Pyrazole, 3-ethynyl-1-methyl- [ACD/Index Name]
3-Ethinyl-1-methyl-1H-pyrazol [German] [ACD/IUPAC Name]
3-Ethynyl-1-methyl-1H-pyrazole [ACD/IUPAC Name]
3-Éthynyl-1-méthyl-1H-pyrazole [French] [ACD/IUPAC Name]
3-ethynyl-1-methylpyrazole
61514-59-8 [RN]
3-ethynyl-1-methyl-1{H}-pyrazole
3-ethynyl-l -methyl-1h-pyrazole
AGN-PC-0NIGCB
AKOS015921061
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 181.7±13.0 °C at 760 mmHg
    Vapour Pressure: 1.1±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.1±3.0 kJ/mol
    Flash Point: 63.7±19.8 °C
    Index of Refraction: 1.513
    Molar Refractivity: 34.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.39
    ACD/KOC (pH 5.5): 43.97
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.39
    ACD/KOC (pH 7.4): 43.97
    Polar Surface Area: 18 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 31.5±7.0 dyne/cm
    Molar Volume: 114.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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