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Search term: JWRGQTXEIAYASV (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C9H11NO4

Ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC9H11NO4
  • Average mass197.188 Da
  • Monoisotopic mass197.068802 Da
  • ChemSpider ID21514074

More details:

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

3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-1-methyl-6-oxo-, ethyl ester [ACD/Index Name]
4-Hydroxy-1-methyl-6-oxo-1,6-dihydr; o-pyridine-3-carboxylic acid ethyl ; ester
4-Hydroxy-1-méthyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
853105-37-0 [RN]
Ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
Ethyl-4-hydroxy-1-methyl-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
[853105-37-0] [RN]
4-Hydroxy-1-methyl-6-oxo-1,6-dihydr; o-pyridine-3-carboxylic acid ethyl; ester

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 315.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 144.3±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.33
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 147.7±3.0 cm3

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