ChemSpider 2D Image | 1,3,4,6,7,9-Hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole 1,4,9-trioxide | C6H6N6O6

1,3,4,6,7,9-Hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole 1,4,9-trioxide

  • Molecular FormulaC6H6N6O6
  • Average mass258.148 Da
  • Monoisotopic mass258.034882 Da
  • ChemSpider ID110401346

More details:

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

1,3,4,6,7,9-Hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazol-1,4,9-trioxid [German] [ACD/IUPAC Name]
1,3,4,6,7,9-Hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole 1,4,9-trioxide [ACD/IUPAC Name]
1,4,9-Trioxyde de 1,3,4,6,7,9-hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole [French] [ACD/IUPAC Name]
Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,3,4,6,7,9-hexahydro-, 1,4,9-trioxide [ACD/Index Name]

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

Density: 3.5±0.1 g/cm3
Boiling Point: 580.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.9±32.9 °C
Index of Refraction: 2.580
Molar Refractivity: 47.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 295.5±7.0 dyne/cm
Molar Volume: 73.1±7.0 cm3

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