ChemSpider 2D Image | 3-(4-Butoxyphenyl)-1H-pyrazole-4-carboxylic acid | C14H16N2O3

3-(4-Butoxyphenyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC14H16N2O3
  • Average mass260.288 Da
  • Monoisotopic mass260.116089 Da
  • ChemSpider ID21800780

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-(4-butoxyphenyl)- [ACD/Index Name]
3-(4-Butoxyphenyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-(4-Butoxyphenyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
879996-68-6 [RN]
Acide 3-(4-butoxyphényl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
[879996-68-6] [RN]
3-(4-butoxyphenyl)pyrazole-4-carboxylic acid
5-(4-butoxyphenyl)-1H-pyrazole-4-carboxylic acid
BS-4766

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

MFCD12027306 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 474.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.7±3.0 kJ/mol
    Flash Point: 240.4±25.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 70.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 4.59
    ACD/KOC (pH 5.5): 36.40
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.48
    Polar Surface Area: 75 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 212.3±3.0 cm3

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