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

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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
[914348-94-0] [RN]
1-Boc-5-Methyl-3-formylindole
1H-INDOLE-1-CARBOXYLIC ACID,3-FORMYL-5-METHYL-,1,1-DIMETHYLETHYL ESTER
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    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

    Click to predict properties on the Chemicalize site






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