ChemSpider 2D Image | 2-(Nitrooxy)ethyl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate | C19H15NO9

2-(Nitrooxy)ethyl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID31137262

More details:

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

[(5-Hydroxy-4-oxo-2-phényl-4H-chromén-7-yl)oxy]acétate de 2-(nitrooxy)éthyle [French] [ACD/IUPAC Name]
2-(Nitrooxy)ethyl [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate [ACD/IUPAC Name]
2-(Nitrooxy)ethyl-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]-, 2-(nitrooxy)ethyl ester [ACD/Index Name]
1227681-44-8 [RN]
2-(Nitrooxy)ethyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate
2-(NITROOXY)ETHYL 2-(5-HYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YLOXY)ACETATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 630.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 334.8±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: 3.13
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 317.05
ACD/KOC (pH 5.5): 2028.76
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 21.08
ACD/KOC (pH 7.4): 134.88
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

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