ChemSpider 2D Image | 5-(4-{[4-(5-Carboxy-2-furyl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid | C29H22N2O6

5-(4-{[4-(5-Carboxy-2-furyl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC29H22N2O6
  • Average mass494.495 Da
  • Monoisotopic mass494.147797 Da
  • ChemSpider ID31145439

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[4-[[4-(5-carboxy-2-furanyl)phenyl]methoxy]phenyl]-1-(3-methylphenyl)- [ACD/Index Name]
5-(4-{[4-(5-Carboxy-2-furyl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-{[4-(5-Carboxy-2-furyl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-(4-{[4-(5-Carboxyfuran-2-Yl)benzyl]oxy}phenyl)-1-(3-Methylphenyl)-1h-Pyrazole-3-Carboxylic Acid
Acide 5-(4-{[4-(5-carboxy-2-furyl)benzyl]oxy}phényl)-1-(3-méthylphényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1XT

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.0±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 10.24
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 4.13
Polar Surface Area: 115 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site


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