ChemSpider 2D Image | (4Z)-4-[(2E)-1-Hydroxy-3-(4-methoxyphenyl)-2-propen-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | C20H18N2O3

(4Z)-4-[(2E)-1-Hydroxy-3-(4-methoxyphenyl)-2-propen-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC20H18N2O3
  • Average mass334.368 Da
  • Monoisotopic mass334.131744 Da
  • ChemSpider ID24743781

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-[(2E)-1-Hydroxy-3-(4-methoxyphenyl)-2-propen-1-yliden]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4Z)-4-[(2E)-1-Hydroxy-3-(4-methoxyphenyl)-2-propen-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4Z)-4-[(2E)-1-Hydroxy-3-(4-méthoxyphényl)-2-propén-1-ylidène]-5-méthyl-2-phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2,4-dihydro-4-[(2E)-1-hydroxy-3-(4-methoxyphenyl)-2-propen-1-ylidene]-5-methyl-2-phenyl-, (4Z)- [ACD/Index 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: 494.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.6±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 116.48
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 62 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

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