ChemSpider 2D Image | 2-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}ethyl nitrate | C19H15NO9

2-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}ethyl nitrate

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID30819012

More details:

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

2-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}ethyl nitrate [ACD/IUPAC Name]
2-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}ethylnitrat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-7-[2-(nitrooxy)ethoxy]- [ACD/Index Name]
Nitrate de 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromén-7-yl]oxy}éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 252.32
ACD/KOC (pH 5.5): 1736.73
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 19.05
ACD/KOC (pH 7.4): 131.10
Polar Surface Area: 129 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

Click to predict properties on the Chemicalize site


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