ChemSpider 2D Image | 5-{2-[3-(Methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C15H14N2O6

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

  • Molecular FormulaC15H14N2O6
  • Average mass318.281 Da
  • Monoisotopic mass318.085175 Da
  • ChemSpider ID35034567

More details:






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

4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-5-[2-[3-(methoxycarbonyl)phenyl]ethyl]-2,6-dioxo- [ACD/Index Name]
5-{2-[3-(Methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-{2-[3-(Methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-{2-[3-(Methoxycarbonyl)phenyl]ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
Acide 5-{2-[3-(méthoxycarbonyl)phényl]éthyl}-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
W85

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 229.2±3.0 cm3

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