ChemSpider 2D Image | 4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-butynoic acid | C9H13NO4

4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-butynoic acid

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID24205906

More details:

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

2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-butinsäure [German] [ACD/IUPAC Name]
4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-butynoic acid [ACD/IUPAC Name]
Acide 4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-butynoïque [French] [ACD/IUPAC Name]
168762-94-5 [RN]
2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)
4-((tert-butoxycarbonyl)amino)but-2-ynoic acid
4-([(TERT-BUTOXY)CARBONYL]AMINO)BUT-2-YNOIC ACID
4-(tert-butoxycarbonylamino)but-2-ynoic acid
4-(tert-butoxycarbonylamino)but-2-ynoicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 367.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±6.0 kJ/mol
    Flash Point: 176.2±23.2 °C
    Index of Refraction: 1.493
    Molar Refractivity: 48.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): -1.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 46.9±3.0 dyne/cm
    Molar Volume: 167.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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