ChemSpider 2D Image | 2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl 3,4,5-triethoxybenzoate | C23H27NO8

2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl 3,4,5-triethoxybenzoate

  • Molecular FormulaC23H27NO8
  • Average mass445.462 Da
  • Monoisotopic mass445.173676 Da
  • ChemSpider ID26004908

More details:

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

2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl 3,4,5-triethoxybenzoate [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl-3,4,5-triethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triéthoxybenzoate de 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-triethoxy-, 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl ester [ACD/Index Name]
3,4,5-Triethoxy-benzoic acid (2,3-dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.67
ACD/KOC (pH 5.5): 1932.75
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.66
ACD/KOC (pH 7.4): 1932.65
Polar Surface Area: 102 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 355.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement