ChemSpider 2D Image | Ethyl 6-tert-butyl-4-oxo-1,4-dihydropyridine-3-carboxylate | C12H17NO3

Ethyl 6-tert-butyl-4-oxo-1,4-dihydropyridine-3-carboxylate

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID24540909

More details:

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

134653-98-8 [RN]
3-Pyridinecarboxylic acid, 6-(1,1-dimethylethyl)-1,4-dihydro-4-oxo-, ethyl ester [ACD/Index Name]
6-(2-Méthyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl 6-tert-butyl-4-oxo-1,4-dihydropyridine-3-carboxylate
Ethyl-6-(2-methyl-2-propanyl)-4-oxo-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
[134653-98-8] [RN]
2-(3-methylbenzothiophen-2-yl)acetate
6-tert-Butyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
6-tert-butyl-4-oxo-1H-pyridine-3-carboxylic acid ethyl 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: 324.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.7±3.0 kJ/mol
    Flash Point: 150.2±27.9 °C
    Index of Refraction: 1.501
    Molar Refractivity: 59.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 4.58
    ACD/KOC (pH 5.5): 103.47
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 4.57
    ACD/KOC (pH 7.4): 103.28
    Polar Surface Area: 55 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 201.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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