ChemSpider 2D Image | [(5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]methyl 3-(nitrooxy)propanoate | C19H15NO9

[(5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]methyl 3-(nitrooxy)propanoate

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID24669364

More details:

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

[(5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]methyl 3-(nitrooxy)propanoate [ACD/IUPAC Name]
[(5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]methyl-3-(nitrooxy)propanoat [German] [ACD/IUPAC Name]
3-(Nitrooxy)propanoate de [(5-hydroxy-4-oxo-2-phényl-4H-chromén-7-yl)oxy]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 3-(nitrooxy)-, [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]methyl ester [ACD/Index 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: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 236.47
ACD/KOC (pH 5.5): 1622.52
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 13.18
ACD/KOC (pH 7.4): 90.45
Polar Surface Area: 137 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement