ChemSpider 2D Image | tert-Butyl 2-(2-ethoxy-2-oxoethyl)-1H-indole-1-carboxylate | C17H21NO4

tert-Butyl 2-(2-ethoxy-2-oxoethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID26559523

More details:

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

172226-77-6 [RN]
1H-Indole-2-acetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester [ACD/Index Name]
2-(2-Éthoxy-2-oxoéthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2-ethoxy-2-oxoethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2-ethoxy-2-oxoethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl 2-(2-ethoxy-2-oxoethyl)-1H-indole-1-carboxylate
2-Ethoxycarbonylmethyl-indole-1-carboxylic acid tert-butyl ester
tert-butyl 2-(2-ethoxy-2-oxoethyl)indole-1-carboxylate

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-09763]
    • Safety:

      20/21/22 Novochemy [NC-09763]
      20/21/36/37/39 Novochemy [NC-09763]
      GHS07; GHS09 Novochemy [NC-09763]
      H332; H403 Novochemy [NC-09763]
      P301+P310; P337+P313 Novochemy [NC-09763]
      R52/53 Novochemy [NC-09763]
      Warning Novochemy [NC-09763]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.8±26.5 °C
Index of Refraction: 1.536
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.72
ACD/KOC (pH 5.5): 2121.50
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.72
ACD/KOC (pH 7.4): 2121.50
Polar Surface Area: 58 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

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