ChemSpider 2D Image | tert-butyl 4-oxo-octahydro-1H-isoindole-2-carboxylate | C13H21NO3

tert-butyl 4-oxo-octahydro-1H-isoindole-2-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID24723479

More details:

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

2H-Isoindole-2-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-oxooctahydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxooctahydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
4-Oxooctahydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
879687-92-0 [RN]
tert-butyl 4-oxo-octahydro-1H-isoindole-2-carboxylate
[879687-92-0] [RN]
2-Boc-hexahydro-1H-isoindol-4(2H)-one
4-Oxo-octahydroisoindole-2-carboxylic acid tert-butyl ester
4-Oxo-octahydro-isoindole-2-carboxylic acid tert-butyl ester
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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: 1.1±0.1 g/cm3
    Boiling Point: 342.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 161.2±23.2 °C
    Index of Refraction: 1.501
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.74
    ACD/KOC (pH 5.5): 177.53
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.74
    ACD/KOC (pH 7.4): 177.53
    Polar Surface Area: 47 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 215.4±3.0 cm3

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