ChemSpider 2D Image | 2-(4,4-Dimethyl-1,1-dioxido-3-oxo-1,2-thiazetidin-2-yl)-3-hydroxypropanoic acid | C7H11NO6S

2-(4,4-Dimethyl-1,1-dioxido-3-oxo-1,2-thiazetidin-2-yl)-3-hydroxypropanoic acid

  • Molecular FormulaC7H11NO6S
  • Average mass237.230 Da
  • Monoisotopic mass237.030701 Da
  • ChemSpider ID35683383

More details:

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

1,2-Thiazetidine-2-acetic acid, α-(hydroxymethyl)-4,4-dimethyl-3-oxo-, 1,1-dioxide [ACD/Index Name]
2-(4,4-Dimethyl-1,1-dioxido-3-oxo-1,2-thiazetidin-2-yl)-3-hydroxypropanoic acid [ACD/IUPAC Name]
2-(4,4-Dimethyl-1,1-dioxido-3-oxo-1,2-thiazetidin-2-yl)-3-hydroxypropansäure [German] [ACD/IUPAC Name]
Acide 2-(4,4-diméthyl-3-oxo-1,1-dioxydo-1,2-thiazétidin-2-yl)-3-hydroxypropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 441.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 220.9±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 48.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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