ChemSpider 2D Image | 9-Hydroxy-3-[2-hydroxy(~2~H_4_)ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C11H8D4N2O3

9-Hydroxy-3-[2-hydroxy(2H4)ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC11H8D4N2O3
  • Average mass224.249 Da
  • Monoisotopic mass224.109894 Da
  • ChemSpider ID58779606

  • Non-standard isotope - Non-standard isotope

More details:

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

4H-Pyrido[1,2-a]pyrimidin-4-one, 9-hydroxy-3-(2-hydroxyethyl-1,1,2,2-d4)-2-methyl- [ACD/Index Name]
9-Hydroxy-3-[2-hydroxy(2H4)ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
9-Hydroxy-3-[2-hydroxy(2H4)ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
9-Hydroxy-3-[2-hydroxy(2H4)éthyl]-2-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 437.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 218.3±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.82
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.58
Polar Surface Area: 73 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 159.2±7.0 cm3

Click to predict properties on the Chemicalize site


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