ChemSpider 2D Image | 3-Azabicyclo[4.2.0]octa-1,3,5-triene-7,8-dione | C7H3NO2

3-Azabicyclo[4.2.0]octa-1,3,5-triene-7,8-dione

  • Molecular FormulaC7H3NO2
  • Average mass133.104 Da
  • Monoisotopic mass133.016373 Da
  • ChemSpider ID24184833

More details:

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

3-Azabicyclo[4.2.0]octa-1,3,5-trien-7,8-dion [German] [ACD/IUPAC Name]
3-Azabicyclo[4.2.0]octa-1,3,5-triene-7,8-dione [ACD/Index Name] [ACD/IUPAC Name]
3-Azabicyclo[4.2.0]octa-1,3,5-triène-7,8-dione [French] [ACD/IUPAC Name]
344325-28-6 [RN]
3-Azabicyclo[4.2.0]octa-1,3,5-triene-7,8-dione (9CI)
MFCD18817598

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

Density: 1.5±0.1 g/cm3
Boiling Point: 292.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 135.3±25.1 °C
Index of Refraction: 1.661
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.87
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.87
Polar Surface Area: 47 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 87.0±3.0 cm3

Click to predict properties on the Chemicalize site


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