ChemSpider 2D Image | 3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phthalic acid | C13H15NO6

3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phthalic acid

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID26051522

More details:

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

1,2-Benzenedicarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phthalic acid [ACD/IUPAC Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phthalsäure [German] [ACD/IUPAC Name]
Acide 3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phtalique [French] [ACD/IUPAC Name]
[1185302-72-0] [RN]
1185302-72-0 [RN]
3-((tert-Butoxycarbonyl)amino)phthalic acid
3-{[(tert-butoxy)carbonyl]amino}benzene-1,2-dicarboxylic acid
Boc-3-aminobenzene-1,2-dicarboxylic acid
MFCD02682147 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 409.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.7±3.0 kJ/mol
    Flash Point: 201.4±27.3 °C
    Index of Refraction: 1.604
    Molar Refractivity: 70.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): -0.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 113 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 61.3±3.0 dyne/cm
    Molar Volume: 203.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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