ChemSpider 2D Image | Ethyl 6-{[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C13H16N2O7

Ethyl 6-{[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC13H16N2O7
  • Average mass312.275 Da
  • Monoisotopic mass312.095764 Da
  • ChemSpider ID22553582

More details:

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

5-Pyrimidinecarboxylic acid, 4-[[[(5,6-dihydro-1,4-dioxin-2-yl)carbonyl]oxy]methyl]-1,2,3,6-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
6-{[(5,6-Dihydro-1,4-dioxin-2-ylcarbonyl)oxy]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)oxy]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [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: 425.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 210.9±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.98
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.97
Polar Surface Area: 112 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement