ChemSpider 2D Image | [1,2,3]Trioxepino[5,6-b]pyridine-5,9-dione | C7H3NO5

[1,2,3]Trioxepino[5,6-b]pyridine-5,9-dione

  • Molecular FormulaC7H3NO5
  • Average mass181.102 Da
  • Monoisotopic mass181.001129 Da
  • ChemSpider ID67498223

More details:

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

[1,2,3]Trioxepino[5,6-b]pyridin-5,9-dion [German] [ACD/IUPAC Name]
[1,2,3]Trioxepino[5,6-b]pyridine-5,9-dione [ACD/Index Name] [ACD/IUPAC Name]
[1,2,3]Trioxépino[5,6-b]pyridine-5,9-dione [French] [ACD/IUPAC Name]
pyridine dicarboxylate oxygen

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

Density: 1.6±0.1 g/cm3
Boiling Point: 314.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.8±25.7 °C
Index of Refraction: 1.566
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.70
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.70
Polar Surface Area: 75 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 113.3±3.0 cm3

Click to predict properties on the Chemicalize site


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