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ChemSpider 2D Image | Ethyl 3-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoate | C16H21NO5

Ethyl 3-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoate

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID26546731

More details:

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

3-[3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)phényl]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoat [German] [ACD/IUPAC Name]
[1017781-47-3] [RN]
1017781-47-3 [RN]
3-(3-tert-Butoxycarbonylamino-phenyl)-3-oxo-propionic acid ethyl ester
benzenepropanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-??-oxo-, ethyl ester
benzenepropanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester
Ethyl 3-(3-((tert-butoxycarbonyl)amino)phenyl)-3-oxopropanoate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 379.1±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.7±3.0 kJ/mol
    Flash Point: 183.1±22.3 °C
    Index of Refraction: 1.535
    Molar Refractivity: 81.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.90
    ACD/KOC (pH 5.5): 786.28
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.77
    ACD/KOC (pH 7.4): 784.96
    Polar Surface Area: 82 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 263.0±3.0 cm3

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