ChemSpider 2D Image | 1-Oxo-1-phenyl-2-propanyl nitrate | C9H9NO4

1-Oxo-1-phenyl-2-propanyl nitrate

  • Molecular FormulaC9H9NO4
  • Average mass195.172 Da
  • Monoisotopic mass195.053162 Da
  • ChemSpider ID21408675

More details:






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

1-Oxo-1-phenyl-2-propanyl nitrate [ACD/IUPAC Name]
1-Oxo-1-phenyl-2-propanylnitrat [German] [ACD/IUPAC Name]
1-oxo-1-phenylpropan-2-yl nitrate
1-Propanone, 2-(nitrooxy)-1-phenyl- [ACD/Index Name]
Nitrate de 1-oxo-1-phényl-2-propanyle [French] [ACD/IUPAC Name]
(1-oxo-1-phenylpropan-2-yl) nitrate
1-methyl-2-oxo-2-phenylethyl nitrate
2-nitrooxy-1-phenyl-propan-1-one
60434-74-4 [RN]
AGN-PC-0NIEAZ
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 305.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 141.8±25.2 °C
Index of Refraction: 1.532
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.49
ACD/KOC (pH 5.5): 671.48
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.49
ACD/KOC (pH 7.4): 671.48
Polar Surface Area: 72 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

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