ChemSpider 2D Image | (4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one | C11H11NO2

(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one

  • Molecular FormulaC11H11NO2
  • Average mass189.210 Da
  • Monoisotopic mass189.078979 Da
  • ChemSpider ID28536354

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-on [German] [ACD/IUPAC Name]
(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one [ACD/IUPAC Name]
(4aR,9aS)-4,4a,9,9a-Tétrahydroindéno[2,1-b][1,4]oxazin-3(2H)-one [French] [ACD/IUPAC Name]
(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b]-1,4-oxazin-3(2H)-one
862095-79-2 [RN]
Indeno[2,1-b]-1,4-oxazin-3(2H)-one, 4,4a,9,9a-tetrahydro-, (4aR,9aS)- [ACD/Index Name]
(4aR,9aS)-2H,3H,4H,4aH,9H,9aH-indeno[2,1-b][1,4]oxazin-3-one
(4aR,9aS)-2H,4H,4aH,9H,9aH-indeno[2,1-b][1,4]oxazin-3-one
(4aR,9aS)-4,4a,9,9a-tetrahydro-1-oxa-4-azafluoren-3-one
(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-onato
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 433.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 215.8±28.7 °C
    Index of Refraction: 1.573
    Molar Refractivity: 50.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.81
    ACD/KOC (pH 5.5): 122.68
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.81
    ACD/KOC (pH 7.4): 122.68
    Polar Surface Area: 38 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 154.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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