ChemSpider 2D Image | 4-[(1,1-Dioxido-1-benzothiophen-3-yl)oxy]-2H-chromen-2-one | C17H10O5S

4-[(1,1-Dioxido-1-benzothiophen-3-yl)oxy]-2H-chromen-2-one

  • Molecular FormulaC17H10O5S
  • Average mass326.323 Da
  • Monoisotopic mass326.024902 Da
  • ChemSpider ID28519382

More details:

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

2H-1-Benzopyran-2-one, 4-[(1,1-dioxidobenzo[b]thien-3-yl)oxy]- [ACD/Index Name]
4-[(1,1-Dioxido-1-benzothiophen-3-yl)oxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-[(1,1-Dioxido-1-benzothiophen-3-yl)oxy]-2H-chromen-2-one [ACD/IUPAC Name]
4-[(1,1-Dioxydo-1-benzothiophén-3-yl)oxy]-2H-chromén-2-one [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: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.8±30.1 °C
Index of Refraction: 1.718
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.39
ACD/KOC (pH 5.5): 419.51
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.39
ACD/KOC (pH 7.4): 419.51
Polar Surface Area: 78 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 208.8±5.0 cm3

Click to predict properties on the Chemicalize site


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