ChemSpider 2D Image | Ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate | C11H14N2O3

Ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

  • Molecular FormulaC11H14N2O3
  • Average mass222.240 Da
  • Monoisotopic mass222.100449 Da
  • ChemSpider ID24212908

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

1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1-methyl-7-oxo-, ethyl ester [ACD/Index Name]
1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester
1-Méthyl-7-oxo-4,5,6,7-tétrahydro-1H-indazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
802541-13-5 [RN]
Ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-carboxylat [German] [ACD/IUPAC Name]
[802541-13-5] [RN]
1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1-methyl-7-oxo-, ethyl ester (9CI)
1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethyl ester
1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester(9CI)
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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: 1.3±0.1 g/cm3
    Boiling Point: 405.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 198.9±28.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 57.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.12
    ACD/KOC (pH 5.5): 182.43
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 10.12
    ACD/KOC (pH 7.4): 182.43
    Polar Surface Area: 61 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 47.1±7.0 dyne/cm
    Molar Volume: 167.5±7.0 cm3

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