ChemSpider 2D Image | 7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid | C12H18N2O5

7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid

  • Molecular FormulaC12H18N2O5
  • Average mass270.282 Da
  • Monoisotopic mass270.121582 Da
  • ChemSpider ID24599315

More details:

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

1160247-02-8 [RN]
1-Oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester [ACD/Index Name]
7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-oxa-2,7-diazaspiro[4.4]non-2-ène-3-carboxylique [French] [ACD/IUPAC Name]
[1160247-02-8] [RN]
1-Oxa-2,7-diaza-spiro[4.4]non-2-ene-3,7-dicarboxylic acid 7-tert-butyl ester
1-oxa-2,7-diaza-spiro4.4non-2-ene-3,7-dicarboxylic acid 7-tert-butyl ester
2,5-dimethyloxazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 409.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.6±6.0 kJ/mol
    Flash Point: 201.7±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 65.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.24
    ACD/LogD (pH 5.5): -1.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 197.3±7.0 cm3

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