ChemSpider 2D Image | Methyl oxo(2-oxo-1,3-benzoxathiol-4-yl)acetate | C10H6O5S

Methyl oxo(2-oxo-1,3-benzoxathiol-4-yl)acetate

  • Molecular FormulaC10H6O5S
  • Average mass238.217 Da
  • Monoisotopic mass237.993591 Da
  • ChemSpider ID61765777

More details:

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

1,3-Benzoxathiole-4-acetic acid, α,2-dioxo-, methyl ester [ACD/Index Name]
Methyl oxo(2-oxo-1,3-benzoxathiol-4-yl)acetate [ACD/IUPAC Name]
Methyl-oxo(2-oxo-1,3-benzoxathiol-4-yl)acetat [German] [ACD/IUPAC Name]
Oxo(2-oxo-1,3-benzoxathiol-4-yl)acétate de méthyle [French] [ACD/IUPAC Name]
2090882-74-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 399.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 207.3±16.5 °C
Index of Refraction: 1.625
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.97
ACD/KOC (pH 5.5): 167.37
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 8.97
ACD/KOC (pH 7.4): 167.37
Polar Surface Area: 95 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 157.1±3.0 cm3

Click to predict properties on the Chemicalize site


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