ChemSpider 2D Image | tert-Butyl isoindoline-2-carboxylate | C13H17NO2

tert-Butyl isoindoline-2-carboxylate

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID30783009

More details:

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

1,3-Dihydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
260412-75-7 [RN]
2H-Isoindole-2-carboxylic acid, 1,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 1,3-dihydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,3-dihydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl isoindoline-2-carboxylate
[260412-75-7] [RN]
1,3-Dihydro-isoindole-2-carboxylic acid tert-butyl ester
HC-3930
MFCD21106377
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 313.2±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 143.2±24.8 °C
    Index of Refraction: 1.545
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 142.16
    ACD/KOC (pH 5.5): 1209.41
    ACD/LogD (pH 7.4): 3.13
    ACD/BCF (pH 7.4): 142.16
    ACD/KOC (pH 7.4): 1209.41
    Polar Surface Area: 30 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 42.0±3.0 dyne/cm
    Molar Volume: 196.8±3.0 cm3

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