ChemSpider 2D Image | 5-(1,3-Benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid | C11H8N2O4

5-(1,3-Benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC11H8N2O4
  • Average mass232.192 Da
  • Monoisotopic mass232.048401 Da
  • ChemSpider ID23983221

More details:

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

1152543-46-8 [RN]
1H-Pyrazole-4-carboxylic acid, 5-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
5-(1,3-Benzodioxol-5-yl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid
Acide 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1H-pyrazole-4-carboxylic acid, 3-(1,3-benzodioxol-5-yl)
5-(1,3-dioxaindan-5-yl)-1H-pyrazole-4-carboxylic acid
5-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazole-4-carboxylic acid
atoms 17 bonds 19
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 492.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 251.9±28.7 °C
    Index of Refraction: 1.677
    Molar Refractivity: 56.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): 0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.76
    ACD/LogD (pH 7.4): -1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 82.4±3.0 dyne/cm
    Molar Volume: 150.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement