ChemSpider 2D Image | Methyl hydroxy(5-hydroxy-2-oxo-1,3-benzoxathiol-6-yl)acetate | C10H8O6S

Methyl hydroxy(5-hydroxy-2-oxo-1,3-benzoxathiol-6-yl)acetate

  • Molecular FormulaC10H8O6S
  • Average mass256.232 Da
  • Monoisotopic mass256.004150 Da
  • ChemSpider ID76406753

More details:

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

1,3-Benzoxathiole-6-acetic acid, α,5-dihydroxy-2-oxo-, methyl ester [ACD/Index Name]
Hydroxy(5-hydroxy-2-oxo-1,3-benzoxathiol-6-yl)acétate de méthyle [French] [ACD/IUPAC Name]
Methyl hydroxy(5-hydroxy-2-oxo-1,3-benzoxathiol-6-yl)acetate [ACD/IUPAC Name]
Methyl-hydroxy(5-hydroxy-2-oxo-1,3-benzoxathiol-6-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 495.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.3±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 63.35
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 46.34
Polar Surface Area: 118 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 155.0±3.0 cm3

Click to predict properties on the Chemicalize site


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