ChemSpider 2D Image | 5-{2-[4-(Cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C15H13N3O4

5-{2-[4-(Cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC15H13N3O4
  • Average mass299.281 Da
  • Monoisotopic mass299.090607 Da
  • ChemSpider ID35034649

More details:






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

4-Pyrimidinecarboxylic acid, 5-[2-[4-(cyanomethyl)phenyl]ethyl]-1,2,3,6-tetrahydro-2,6-dioxo- [ACD/Index Name]
5-{2-[4-(Cyanmethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-{2-[4-(Cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-{2-[4-(Cyanomethyl)phenyl]ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
Acide 5-{2-[4-(cyanométhyl)phényl]éthyl}-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
XRO

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: 1.600
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

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