ChemSpider 2D Image | (1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C9H11NO3

(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID62991772

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-, (3aR,4R,7S,7aS)- [ACD/Index Name]
68330-42-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 342.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.9±6.0 kJ/mol
Flash Point: 161.0±23.2 °C
Index of Refraction: 1.633
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.45
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.88
Polar Surface Area: 58 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 120.5±3.0 cm3

Click to predict properties on the Chemicalize site


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