ChemSpider 2D Image | 3-(2-Oxo-2H-chromen-3-yl)-1H-pyrazole-4-carbaldehyde | C13H8N2O3

3-(2-Oxo-2H-chromen-3-yl)-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC13H8N2O3
  • Average mass240.214 Da
  • Monoisotopic mass240.053497 Da
  • ChemSpider ID23498074

More details:

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

1H-Pyrazole-4-carboxaldehyde, 3-(2-oxo-2H-1-benzopyran-3-yl)- [ACD/Index Name]
3-(2-Oxo-2H-chromen-3-yl)-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
3-(2-Oxo-2H-chromen-3-yl)-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
3-(2-Oxo-2H-chromén-3-yl)-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
1207606-64-1 [RN]
3-(2-OXOCHROMEN-3-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
5-(2-oxochromen-3-yl)-1H-pyrazole-4-carbaldehyde
C13H8N2O3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 569.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 298.3±30.1 °C
    Index of Refraction: 1.710
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 18.26
    ACD/KOC (pH 5.5): 278.40
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 18.25
    ACD/KOC (pH 7.4): 278.15
    Polar Surface Area: 72 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 76.1±3.0 dyne/cm
    Molar Volume: 162.5±3.0 cm3

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