Found 1 result

Search term: HQPIXVSGYRVKOL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Imino-2(3H)-oxepinone | C6H5NO2

3-Imino-2(3H)-oxepinone

  • Molecular FormulaC6H5NO2
  • Average mass123.109 Da
  • Monoisotopic mass123.032028 Da
  • ChemSpider ID35034988

More details:

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

2(3H)-Oxepinone, 3-imino- [ACD/Index Name]
3-Imino-2(3H)-oxepinon [German] [ACD/IUPAC Name]
3-Imino-2(3H)-oxepinone [ACD/IUPAC Name]
3-Imino-2(3H)-oxépinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 182.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 64.2±22.6 °C
Index of Refraction: 1.543
Molar Refractivity: 31.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.22
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.23
Polar Surface Area: 50 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 100.9±7.0 cm3

Click to predict properties on the Chemicalize site


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