ChemSpider 2D Image | MFCD10697132 | C12H17N3O4

MFCD10697132

  • Molecular FormulaC12H17N3O4
  • Average mass267.281 Da
  • Monoisotopic mass267.121918 Da
  • ChemSpider ID23361489

More details:

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

1709843-87-7 [RN]
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid [ACD/IUPAC Name]
518990-56-2 [RN]
5-Boc-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-3-carboxylic acid
5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) ester [ACD/Index Name]
5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 2,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) ester
Acide 5-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
MFCD10697132
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 497.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.6±3.0 kJ/mol
    Flash Point: 254.4±28.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 66.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.85
    ACD/LogD (pH 7.4): -1.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 62.5±3.0 dyne/cm
    Molar Volume: 198.6±3.0 cm3

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