ChemSpider 2D Image | 5-{4-[4-(Methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C17H18N2O6

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

  • Molecular FormulaC17H18N2O6
  • Average mass346.335 Da
  • Monoisotopic mass346.116486 Da
  • ChemSpider ID35034568

More details:






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

4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-5-[4-[4-(methoxycarbonyl)phenyl]butyl]-2,6-dioxo- [ACD/Index Name]
5-{4-[4-(Methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-{4-[4-(Methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-{4-[4-(Methoxycarbonyl)phenyl]butyl}-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
Acide 5-{4-[4-(méthoxycarbonyl)phényl]butyl}-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
W86

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site






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