ChemSpider 2D Image | tert-Butyl 3-formyl-5-methyl-1H-indole-1-carboxylate | C15H17NO3

tert-Butyl 3-formyl-5-methyl-1H-indole-1-carboxylate

  • Molecular FormulaC15H17NO3
  • Average mass259.300 Da
  • Monoisotopic mass259.120850 Da
  • ChemSpider ID21474140

More details:

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

1,1-Dimethylethyl 3-formyl-5-methyl-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 3-formyl-5-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-formyl-5-methyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-formyl-5-methyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-Formyl-5-méthyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914348-94-0 [RN]
tert-Butyl 3-formyl-5-methyl-1H-indole-1-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-22092]
    • Safety:

      20/21/22 Novochemy [NC-22092]
      20/21/36/37/39 Novochemy [NC-22092]
      GHS07; GHS09 Novochemy [NC-22092]
      H304; H332 Novochemy [NC-22092]
      IRRITANT Matrix Scientific 071707
      Irritant SynQuest 4H51-1-57
      P332+P313; P305+P351+P338 Novochemy [NC-22092]
      R22 Novochemy [NC-22092]
      Warning Novochemy [NC-22092]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 396.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.3±25.7 °C
Index of Refraction: 1.549
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.99
ACD/KOC (pH 5.5): 1292.49
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.99
ACD/KOC (pH 7.4): 1292.49
Polar Surface Area: 48 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 230.8±7.0 cm3

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