ChemSpider 2D Image | (1S,7S)-5-Hydroxy-4-azatricyclo[5.2.1.0~2,6~]deca-4,8-dien-3-one | C9H9NO2

(1S,7S)-5-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-4,8-dien-3-one

  • Molecular FormulaC9H9NO2
  • Average mass163.173 Da
  • Monoisotopic mass163.063324 Da
  • ChemSpider ID58815909

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,7S)-5-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-4,8-dien-3-on [German] [ACD/IUPAC Name]
(1S,7S)-5-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-4,8-dien-3-one [ACD/IUPAC Name]
(1S,7S)-5-Hydroxy-4-azatricyclo[5.2.1.02,6]déca-4,8-dién-3-one [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindol-1-one, 3a,4,7,7a-tetrahydro-3-hydroxy-, (4S,7S)- [ACD/Index Name]
3a,4,7,7a-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione (3aα,4α,7α,7aα)-
6265-30-1 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 335.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.0±6.0 kJ/mol
Flash Point: 156.5±30.7 °C
Index of Refraction: 1.863
Molar Refractivity: 41.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 50 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 75.6±7.0 dyne/cm
Molar Volume: 91.1±7.0 cm3

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