ChemSpider 2D Image | 4-(Nitrooxy)butyl [(7-methoxy-3-methyl-4-oxo-3,4-dihydro-1H-isochromen-6-yl)oxy]acetate | C17H21NO9

4-(Nitrooxy)butyl [(7-methoxy-3-methyl-4-oxo-3,4-dihydro-1H-isochromen-6-yl)oxy]acetate

  • Molecular FormulaC17H21NO9
  • Average mass383.350 Da
  • Monoisotopic mass383.121643 Da
  • ChemSpider ID28649457

More details:

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

[(7-Méthoxy-3-méthyl-4-oxo-3,4-dihydro-1H-isochromén-6-yl)oxy]acétate de 4-(nitrooxy)butyle [French] [ACD/IUPAC Name]
4-(Nitrooxy)butyl [(7-methoxy-3-methyl-4-oxo-3,4-dihydro-1H-isochromen-6-yl)oxy]acetate [ACD/IUPAC Name]
4-(Nitrooxy)butyl-[(7-methoxy-3-methyl-4-oxo-3,4-dihydro-1H-isochromen-6-yl)oxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[(3,4-dihydro-7-methoxy-3-methyl-4-oxo-1H-2-benzopyran-6-yl)oxy]-, 4-(nitrooxy)butyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 225.7±32.1 °C
Index of Refraction: 1.525
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.07
ACD/KOC (pH 5.5): 668.27
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.07
ACD/KOC (pH 7.4): 668.27
Polar Surface Area: 126 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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