ChemSpider 2D Image | 4-{[4-Hydroxy(~2~H_4_)phenyl]imino}-2,5-cyclohexadien-1-one | C12H5D4NO2

4-{[4-Hydroxy(2H4)phenyl]imino}-2,5-cyclohexadien-1-one

  • Molecular FormulaC12H5D4NO2
  • Average mass203.230 Da
  • Monoisotopic mass203.088440 Da
  • ChemSpider ID58793835

  • Non-standard isotope - Non-standard isotope

More details:

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

2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl-2,3,5,6-d4)imino]- [ACD/Index Name]
4-{[4-Hydroxy(2H4)phenyl]imino}-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-{[4-Hydroxy(2H4)phenyl]imino}-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-{[4-Hydroxy(2H4)phényl]imino}-2,5-cyclohexadién-1-one [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: 360.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 171.5±27.9 °C
Index of Refraction: 1.600
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 168.40
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.03
ACD/KOC (pH 7.4): 168.04
Polar Surface Area: 50 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 168.0±7.0 cm3

Click to predict properties on the Chemicalize site


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