ChemSpider 2D Image | 2-{(1S,2S)-2-[(E)-(2,4-Dihydroxybenzylidene)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione | C21H20N2O4

2-{(1S,2S)-2-[(E)-(2,4-Dihydroxybenzylidene)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC21H20N2O4
  • Average mass364.395 Da
  • Monoisotopic mass364.142303 Da
  • ChemSpider ID30656760

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(1S,2S)-2-[[(1E)-(2,4-dihydroxyphenyl)methylene]amino]cyclohexyl]- [ACD/Index Name]
2-{(1S,2S)-2-[(E)-(2,4-Dihydroxybenzyliden)amino]cyclohexyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{(1S,2S)-2-[(E)-(2,4-Dihydroxybenzylidene)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{(1S,2S)-2-[(E)-(2,4-Dihydroxybenzylidène)amino]cyclohexyl}-1H-isoindole-1,3(2H)-dione [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: 587.2±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 308.9±27.1 °C
Index of Refraction: 1.688
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 178.15
ACD/KOC (pH 5.5): 1134.41
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 202.83
ACD/KOC (pH 7.4): 1291.57
Polar Surface Area: 90 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

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