ChemSpider 2D Image | Ethyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate | C8H12N2O3

Ethyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC8H12N2O3
  • Average mass184.193 Da
  • Monoisotopic mass184.084793 Da
  • ChemSpider ID31103812

More details:

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

199480-28-9 [RN]
1H-Pyrazole-5-carboxylic acid, 3-(hydroxymethyl)-1-methyl-, ethyl ester [ACD/Index Name]
3-(Hydroxyméthyl)-1-méthyl-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-(hydroxymethyl)-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-(HYDROXYMETHYL)-2-METHYLPYRAZOLE-3-CARBOXYLATE
ethyl3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate
MFCD27988094

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 346.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.6±25.1 °C
    Index of Refraction: 1.544
    Molar Refractivity: 46.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.71
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.92
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.92
    Polar Surface Area: 64 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 42.9±7.0 dyne/cm
    Molar Volume: 147.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement