ChemSpider 2D Image | MFCD02714747 | C18H16N2O2

MFCD02714747

  • Molecular FormulaC18H16N2O2
  • Average mass292.332 Da
  • Monoisotopic mass292.121185 Da
  • ChemSpider ID21169704

More details:

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

1,3-Diphenyl-1H-pyrazole-4-propanoic acid
1,3-Diphenylpyrazole-4-propionic acid
108446-77-1 [RN]
1H-Pyrazole-4-propanoic acid, 1,3-diphenyl- [ACD/Index Name]
3-(1,3-Diphenyl-1H-pyrazol-4-yl)propanoic acid [ACD/IUPAC Name]
3-(1,3-Diphenyl-1H-pyrazol-4-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(1,3-diphényl-1H-pyrazol-4-yl)propanoïque [French] [ACD/IUPAC Name]
MFCD02714747
[108446-77-1] [RN]
1H-Pyrazole-4-propanoicacid, 1,3-diphenyl-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

659002_ALDRICH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.8±26.8 °C
Index of Refraction: 1.619
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 36.43
ACD/KOC (pH 5.5): 233.06
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.67
Polar Surface Area: 55 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 246.9±7.0 cm3

Click to predict properties on the Chemicalize site


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