ChemSpider 2D Image | 1-(2,2-Dimethoxyethyl)-5-ethoxy-6-(ethoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid | C15H21NO8

1-(2,2-Dimethoxyethyl)-5-ethoxy-6-(ethoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC15H21NO8
  • Average mass343.329 Da
  • Monoisotopic mass343.126709 Da
  • ChemSpider ID78316943

More details:

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

1-(2,2-Dimethoxyethyl)-5-ethoxy-6-(ethoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
1-(2,2-Dimethoxyethyl)-5-ethoxy-6-(ethoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
2,5-Pyridinedicarboxylic acid, 1-(2,2-dimethoxyethyl)-3-ethoxy-1,4-dihydro-4-oxo-, 2-ethyl ester [ACD/Index Name]
Acide 1-(2,2-diméthoxyéthyl)-5-éthoxy-6-(éthoxycarbonyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 252.2±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 263.4±5.0 cm3

Click to predict properties on the Chemicalize site


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