ChemSpider 2D Image | 2,6-Dioxo-5-[2-(9-phenanthryl)ethyl]-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C21H16N2O4

2,6-Dioxo-5-[2-(9-phenanthryl)ethyl]-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC21H16N2O4
  • Average mass360.363 Da
  • Monoisotopic mass360.110992 Da
  • ChemSpider ID35034546

More details:

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

2,6-Dioxo-5-[2-(9-phenanthryl)ethyl]-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2,6-Dioxo-5-[2-(9-phenanthryl)ethyl]-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-5-[2-(9-phenanthrenyl)ethyl]- [ACD/Index Name]
Acide 2,6-dioxo-5-[2-(9-phénanthryl)éthyl]-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
2,6-Dioxo-5-[2-(Phenanthren-9-Yl)ethyl]-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 259.5±3.0 cm3

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