ChemSpider 2D Image | 4-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3,5-dimethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate | C22H23NO9

4-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3,5-dimethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate

  • Molecular FormulaC22H23NO9
  • Average mass445.419 Da
  • Monoisotopic mass445.137268 Da
  • ChemSpider ID22764276

More details:

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

2,6-Diméthyl-1,4-dihydro-3,4,5-pyridinetricarboxylate de 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoéthyle] et de 3,5-diméthyle [French] [ACD/IUPAC Name]
3,4,5-Pyridinetricarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3,5-dimethyl ester [ACD/Index Name]
4-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3,5-dimethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate [ACD/IUPAC Name]
4-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3,5-dimethyl-2,6-dimethyl-1,4-dihydro-3,4,5-pyridintricarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.88
ACD/KOC (pH 5.5): 939.21
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.93
ACD/KOC (pH 7.4): 939.68
Polar Surface Area: 126 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


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