ChemSpider 2D Image | 3-(2-oxopropyl)-1,4-benzoxazin-2-one | C11H9NO3

3-(2-oxopropyl)-1,4-benzoxazin-2-one

  • Molecular FormulaC11H9NO3
  • Average mass203.194 Da
  • Monoisotopic mass203.058243 Da
  • ChemSpider ID26001644

More details:






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

2H-1,4-Benzoxazin-2-one, 3-(2-oxopropyl)- [ACD/Index Name]
3-(2-oxopropyl)-1,4-benzoxazin-2-one
3-(2-Oxopropyl)-2H-1,4-benzoxazin-2-on [German] [ACD/IUPAC Name]
3-(2-Oxopropyl)-2H-1,4-benzoxazin-2-one [ACD/IUPAC Name]
3-(2-Oxopropyl)-2H-1,4-benzoxazin-2-one [French] [ACD/IUPAC Name]
14003-41-9 [RN]
3-acetonyl-1,4-benzoxazin-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 354.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 178.5±22.9 °C
Index of Refraction: 1.603
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.24
ACD/KOC (pH 5.5): 143.61
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.24
ACD/KOC (pH 7.4): 143.62
Polar Surface Area: 56 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 157.6±7.0 cm3

Click to predict properties on the Chemicalize site






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