ChemSpider 2D Image | 4-[Bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid | C30H28N4O4

4-[Bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid

  • Molecular FormulaC30H28N4O4
  • Average mass508.568 Da
  • Monoisotopic mass508.211060 Da
  • ChemSpider ID2118530

More details:

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

4-[Bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[Bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[bis(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[bis(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]

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

A0164/0007376 [DBID]
BIM-0017641.P001 [DBID]
CBMicro_017653 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 41.72
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 84 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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