ChemSpider 2D Image | 4-(tert-butoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid | C15H19NO5

4-(tert-butoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid

  • Molecular FormulaC15H19NO5
  • Average mass293.315 Da
  • Monoisotopic mass293.126312 Da
  • ChemSpider ID21801700

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

1,4-Benzoxazepine-4,7(5H)-dicarboxylic acid, 2,3-dihydro-, 4-(1,1-dimethylethyl) ester [ACD/Index Name]
1142210-79-4 [RN]
4-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
4-(tert-butoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid
4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-carbonsäure [German] [ACD/IUPAC Name]
4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2,3,4,5-tétrahydro-1,4-benzoxazépine-7-carboxylique [French] [ACD/IUPAC Name]
[1142210-79-4] [RN]
2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4,7-dicarboxylic acid 4-tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028381 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 454.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.2±3.0 kJ/mol
    Flash Point: 228.5±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 75.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 1.69
    ACD/BCF (pH 5.5): 6.16
    ACD/KOC (pH 5.5): 62.29
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.40
    Polar Surface Area: 76 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 235.8±3.0 cm3

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