ChemSpider 2D Image | Org 26576 | C11H12N2O2

Org 26576

  • Molecular FormulaC11H12N2O2
  • Average mass204.225 Da
  • Monoisotopic mass204.089874 Da
  • ChemSpider ID32697513

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9aS)-8,9,9a,10-Tetrahydro-5H,7H-pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-on [German] [ACD/IUPAC Name]
(9aS)-8,9,9a,10-Tetrahydro-5H,7H-pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one [ACD/IUPAC Name]
(9aS)-8,9,9a,10-Tétrahydro-5H,7H-pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazépin-5-one [French] [ACD/IUPAC Name]
0H1IDR8Z4F
1026791-61-6 [RN]
5H,7H-Pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one, 8,9,9a,10-tetrahydro-, (9aS)- [ACD/Index Name]
Org 26576 [Wiki]
ORG-26576
UNII:0H1IDR8Z4F
(3S)-3,4-Propano-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5(4H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 407.5±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 200.2±25.7 °C
    Index of Refraction: 1.618
    Molar Refractivity: 54.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.59
    ACD/LogD (pH 5.5): 0.66
    ACD/BCF (pH 5.5): 1.86
    ACD/KOC (pH 5.5): 54.23
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.86
    ACD/KOC (pH 7.4): 54.33
    Polar Surface Area: 42 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 59.8±5.0 dyne/cm
    Molar Volume: 154.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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