ChemSpider 2D Image | Methyl 1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate | C15H14N2O6

Methyl 1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

  • Molecular FormulaC15H14N2O6
  • Average mass318.281 Da
  • Monoisotopic mass318.085175 Da
  • ChemSpider ID30774432

More details:

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

1-[2-(1,3-Benzodioxol-5-yl)éthyl]-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, 1-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester [ACD/Index Name]
Methyl 1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1565827-86-2 [RN]
CF-0041
Methyl 1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Methyl 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Methyl 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2,6-dioxo-3H-pyrimidine-4-carboxylate
methyl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate
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    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: 1.592
    Molar Refractivity: 76.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 8.39
    ACD/KOC (pH 5.5): 159.38
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 6.35
    ACD/KOC (pH 7.4): 120.60
    Polar Surface Area: 94 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 224.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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