ChemSpider 2D Image | 8-Methoxypyrido[3,4-d]pyrimidin-4(1H)-one | C8H7N3O2

8-Methoxypyrido[3,4-d]pyrimidin-4(1H)-one

  • Molecular FormulaC8H7N3O2
  • Average mass177.160 Da
  • Monoisotopic mass177.053833 Da
  • ChemSpider ID29313801

More details:

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

1260178-71-9 [RN]
8-Methoxypyrido[3,4-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
8-Methoxypyrido[3,4-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
8-Méthoxypyrido[3,4-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidin-4(3H)-one, 8-methoxy- [ACD/Index Name]
8-methoxy-1H-pyrido[3,4-d]pyrimidin-4-one
DS-8606
MFCD21648261 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 428.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 212.9±24.6 °C
    Index of Refraction: 1.674
    Molar Refractivity: 45.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): -0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.68
    ACD/LogD (pH 7.4): -0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.60
    Polar Surface Area: 64 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 54.9±7.0 dyne/cm
    Molar Volume: 121.3±7.0 cm3

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