ChemSpider 2D Image | 3-Methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one | C6H5N3O2

3-Methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one

  • Molecular FormulaC6H5N3O2
  • Average mass151.123 Da
  • Monoisotopic mass151.038177 Da
  • ChemSpider ID21607356

More details:

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

3-Methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-on [German] [ACD/IUPAC Name]
3-Methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one [ACD/IUPAC Name]
3-Méthyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one [French] [ACD/IUPAC Name]
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-methyl- [ACD/Index Name]
3-methyl-2H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
3-methyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
3-Methyl-5H-isoxazolo[5,4-d]pyrimidin-4-one
3-Methylisoxazolo[5,4-d]pyrimidin-4(2H)-one
3-methylisoxazolo[5,4-d]pyrimidin-4(5H)-one
68571-74-4 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 455.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 229.3±25.4 °C
    Index of Refraction: 1.751
    Molar Refractivity: 36.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.91
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.18
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.11
    Polar Surface Area: 67 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 65.2±7.0 dyne/cm
    Molar Volume: 89.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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