ChemSpider 2D Image | Ethyl (6-methyl-2,2-dioxido-4-oxo-1,2,3-oxathiazin-3(4H)-yl)acetate | C8H11NO6S

Ethyl (6-methyl-2,2-dioxido-4-oxo-1,2,3-oxathiazin-3(4H)-yl)acetate

  • Molecular FormulaC8H11NO6S
  • Average mass249.241 Da
  • Monoisotopic mass249.030701 Da
  • ChemSpider ID58112020

More details:






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

(6-Méthyl-4-oxo-2,2-dioxydo-1,2,3-oxathiazin-3(4H)-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1,2,3-Oxathiazine-3(4H)-acetic acid, 6-methyl-4-oxo-, ethyl ester, 2,2-dioxide [ACD/Index Name]
Ethyl (6-methyl-2,2-dioxido-4-oxo-1,2,3-oxathiazin-3(4H)-yl)acetate [ACD/IUPAC Name]
Ethyl-(6-methyl-2,2-dioxido-4-oxo-1,2,3-oxathiazin-3(4H)-yl)acetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 362.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 172.7±28.4 °C
Index of Refraction: 1.512
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.92
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.92
Polar Surface Area: 98 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 177.0±3.0 cm3

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