ChemSpider 2D Image | Diethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate | C18H20N2O6

Diethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate

  • Molecular FormulaC18H20N2O6
  • Average mass360.361 Da
  • Monoisotopic mass360.132141 Da
  • ChemSpider ID34452111

More details:

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

1-[2-(4-Méthoxyphényl)-2-oxoéthyl]-1H-pyrazole-3,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3,5-dicarboxylic acid, 1-[2-(4-methoxyphenyl)-2-oxoethyl]-, diethyl ester [ACD/Index Name]
Diethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-3,5-dicarboxylat [German] [ACD/IUPAC Name]
[1638612-94-8] [RN]
>90%
1638612-94-8 [RN]
3,5-diethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate
3,5-diethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazole-3,5-dicarboxylate
BS-3467
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 533.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.5±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.68
ACD/KOC (pH 5.5): 626.18
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.68
ACD/KOC (pH 7.4): 626.18
Polar Surface Area: 97 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 289.5±7.0 cm3

Click to predict properties on the Chemicalize site


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