ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid | C12H10N2O4

3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC12H10N2O4
  • Average mass246.219 Da
  • Monoisotopic mass246.064056 Da
  • ChemSpider ID23376000

More details:

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

1177271-75-8 [RN]
1H-Pyrazole-5-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-1-methyl- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
3-(benzo[d][1,3]dioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
Acide 3-(1,3-benzodioxol-5-yl)-1-méthyl-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]
3-(1,3-BENZODIOXOL-5-YL)-1-METHYL-1(H)-PYRAZOLE-5-CARBOXYLIC ACID
3-(1,3-benzodioxol-5-yl)-1-methyl-1{H}-pyrazole-5-carboxylic acid
3-(1,3-dioxaindan-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
3-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 479.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 243.9±28.7 °C
    Index of Refraction: 1.682
    Molar Refractivity: 61.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 74 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 58.5±7.0 dyne/cm
    Molar Volume: 162.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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