ChemSpider 2D Image | 2-({(E)-1-Hydroxy-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]vinyl}oxy)ethyl nitrate | C19H15NO9

2-({(E)-1-Hydroxy-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]vinyl}oxy)ethyl nitrate

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID95591551
  • Double-bond stereo - Double-bond stereo


More details:






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

2-({(E)-1-Hydroxy-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]vinyl}oxy)ethyl nitrate [ACD/IUPAC Name]
2-({(E)-1-Hydroxy-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]vinyl}oxy)ethylnitrat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-7-[[(E)-2-hydroxy-2-[2-(nitrooxy)ethoxy]ethenyl]oxy]-2-phenyl- [ACD/Index Name]
Nitrate de 2-({(E)-1-hydroxy-2-[(5-hydroxy-4-oxo-2-phényl-4H-chromén-7-yl)oxy]vinyl}oxy)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.5±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 288.54
ACD/KOC (pH 5.5): 1814.04
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 11.96
ACD/KOC (pH 7.4): 75.18
Polar Surface Area: 140 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 267.7±3.0 cm3

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