ChemSpider 2D Image | 3-[(5Z)-5-{[2-(3,4-Dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazono}-6-oxo-1,3-cyclohexadien-1-yl]benzoic acid | C25H22N4O4

3-[(5Z)-5-{[2-(3,4-Dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazono}-6-oxo-1,3-cyclohexadien-1-yl]benzoic acid

  • Molecular FormulaC25H22N4O4
  • Average mass442.467 Da
  • Monoisotopic mass442.164093 Da
  • ChemSpider ID28426473
  • Double-bond stereo - Double-bond stereo


More details:






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

3-[(5Z)-5-{[2-(3,4-Dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazono}-6-oxo-1,3-cyclohexadien-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3-[(5Z)-5-{[2-(3,4-Dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazono}-6-oxo-1,3-cyclohexadien-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(5Z)-5-{[2-(3,4-diméthylphényl)-5-méthyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazono}-6-oxo-1,3-cyclohexadién-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(5Z)-5-[2-[1-(3,4-dimethylphenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1,3-cyclohexadien-1-yl]- [ACD/Index Name]
3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid
496775-61-2 [RN]
MFCD24444598

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 687.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 8.29
ACD/KOC (pH 5.5): 58.83
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 111 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 332.0±7.0 cm3

Click to predict properties on the Chemicalize site






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