ChemSpider 2D Image | Dimethyl 1-[(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-1H-pyrazole-3,4-dicarboxylate | C20H18N2O8

Dimethyl 1-[(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-1H-pyrazole-3,4-dicarboxylate

  • Molecular FormulaC20H18N2O8
  • Average mass414.366 Da
  • Monoisotopic mass414.106323 Da
  • ChemSpider ID21130795

More details:

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

1-[(7-Acétoxy-4-méthyl-2-oxo-2H-chromén-8-yl)méthyl]-1H-pyrazole-3,4-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3,4-dicarboxylic acid, 1-[[7-(acetyloxy)-4-methyl-2-oxo-2H-1-benzopyran-8-yl]methyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 1-[(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-1H-pyrazole-3,4-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1-[(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-1H-pyrazol-3,4-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.16
ACD/KOC (pH 5.5): 298.78
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.16
ACD/KOC (pH 7.4): 298.78
Polar Surface Area: 123 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement