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Search term: QCAWDRKOZXNAPB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Hydroxy-3-(nitrooxy)propyl acetate | C5H9NO6

2-Hydroxy-3-(nitrooxy)propyl acetate

  • Molecular FormulaC5H9NO6
  • Average mass179.128 Da
  • Monoisotopic mass179.042984 Da
  • ChemSpider ID110527930

More details:

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

1,2,3-Propanetriol, 1-acetate 3-nitrate [ACD/Index Name]
2-Hydroxy-3-(nitrooxy)propyl acetate [ACD/IUPAC Name]
2-Hydroxy-3-(nitrooxy)propyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-hydroxy-3-(nitrooxy)propyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 263.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 113.3±23.2 °C
Index of Refraction: 1.463
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.17
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.17
Polar Surface Area: 102 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site


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