ChemSpider 2D Image | Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate | C6H8N2O3

Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC6H8N2O3
  • Average mass156.139 Da
  • Monoisotopic mass156.053497 Da
  • ChemSpider ID21373754

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

1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-methyl-, methyl ester [ACD/Index Name]
1-Methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
51985-95-6 [RN]
5-Hydroxy-1-méthyl-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acidmethyl ester
Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-hydroxy-1-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD01851055 [MDL number]
[51985-95-6] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 330.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 153.8±22.3 °C
    Index of Refraction: 1.561
    Molar Refractivity: 37.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.31
    ACD/LogD (pH 5.5): 0.60
    ACD/BCF (pH 5.5): 1.68
    ACD/KOC (pH 5.5): 50.38
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.34
    ACD/KOC (pH 7.4): 40.22
    Polar Surface Area: 64 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 46.1±7.0 dyne/cm
    Molar Volume: 115.3±7.0 cm3

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