ChemSpider 2D Image | (1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C9H9NO3

(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC9H9NO3
  • Average mass179.173 Da
  • Monoisotopic mass179.058243 Da
  • ChemSpider ID22845711
  • 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]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,2R,6S,7S)-4-Hydroxy-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy-, (3aR,4R,7S,7aS)- [ACD/Index Name]
(3aR,4R,7S,7aS)-2-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
216392-97-1 [RN]
21715-90-2 [RN]
C9H9NO3
N-Hydroxy-5-norbornene-2,3-dicarboximide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 347.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 164.1±30.7 °C
Index of Refraction: 1.673
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 36.17
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.29
Polar Surface Area: 58 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 113.8±3.0 cm3

Click to predict properties on the Chemicalize site






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