ChemSpider 2D Image | MFCD04115221 | C16H21NO5

MFCD04115221

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID11321066

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

1-BOC-3-(3-CARBOXY-PHENOXY)-PYRROLIDINE
1-Pyrrolidinecarboxylic acid, 3-(3-carboxyphenoxy)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
250681-87-9 [RN]
3-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)oxy)benzoic acid
3-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3-[(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl)oxy]benzoïque [French] [ACD/IUPAC Name]
MFCD04115221
[250681-87-9] [RN]
1-Boc-3-(3-carboxyphenoxy)pyrrolidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 459.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 231.4±25.9 °C
    Index of Refraction: 1.556
    Molar Refractivity: 80.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 5.22
    ACD/KOC (pH 5.5): 43.30
    ACD/LogD (pH 7.4): 0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.47
    Polar Surface Area: 76 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 249.0±3.0 cm3

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