ChemSpider 2D Image | 1-tert-butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate | C11H16N2O5

1-tert-butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate

  • Molecular FormulaC11H16N2O5
  • Average mass256.255 Da
  • Monoisotopic mass256.105927 Da
  • ChemSpider ID24748863

More details:

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

178424-17-4 [RN]
1H-Pyrazole-1,4-dicarboxylic acid, 2,3-dihydro-3-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester [ACD/Index Name]
1-tert-butyl 4-ethyl 3-hydroxy-1H-pyrazole-1,4-dicarboxylate
3-Oxo-2,3-dihydro-1H-pyrazole-1,4-dicarboxylate de 4-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
4-Ethyl 1-(2-methyl-2-propanyl) 3-oxo-2,3-dihydro-1H-pyrazole-1,4-dicarboxylate [ACD/IUPAC Name]
4-Ethyl-1-(2-methyl-2-propanyl)-3-oxo-2,3-dihydro-1H-pyrazol-1,4-dicarboxylat [German] [ACD/IUPAC Name]
1-(TERT-BUTYL) 4-ETHYL 3-HYDROXY-1H-PYRAZOLE-1,4-DICARBOXYLATE
1-tert-butyl 4-ethyl 3-hydroxy-1h-pyrazole-1,4- dicarboxylate
3-HYDROXY-PYRAZOLE-1,4-DICARBOXYLIC ACID-1-TERT-BUTYL ESTER-4-ETHYL ESTER
MFCD13689095

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 350.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 165.5±28.7 °C
    Index of Refraction: 1.530
    Molar Refractivity: 62.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.35
    ACD/KOC (pH 5.5): 428.37
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 31.77
    ACD/KOC (pH 7.4): 407.97
    Polar Surface Area: 91 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 42.1±7.0 dyne/cm
    Molar Volume: 203.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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