ChemSpider 2D Image | (6E)-4-Chloro-6-{[(1,3-dihydroxy-2-methyl-2-propanyl)amino]methylene}-2,4-cyclohexadien-1-one | C11H14ClNO3

(6E)-4-Chloro-6-{[(1,3-dihydroxy-2-methyl-2-propanyl)amino]methylene}-2,4-cyclohexadien-1-one

  • Molecular FormulaC11H14ClNO3
  • Average mass243.687 Da
  • Monoisotopic mass243.066223 Da
  • ChemSpider ID30657411

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-4-Chlor-6-{[(1,3-dihydroxy-2-methyl-2-propanyl)amino]methylen}-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-4-Chloro-6-{[(1,3-dihydroxy-2-methyl-2-propanyl)amino]methylene}-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-4-Chloro-6-{[(1,3-dihydroxy-2-méthyl-2-propanyl)amino]méthylène}-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 4-chloro-6-[[[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino]methylene]-, (6E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 211.8±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 55.94
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.94
Polar Surface Area: 70 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 183.2±5.0 cm3

Click to predict properties on the Chemicalize site


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