ChemSpider 2D Image | 4-Methoxyphenyl 2-oxo-2H-chromene-6-sulfonate | C16H12O6S

4-Methoxyphenyl 2-oxo-2H-chromene-6-sulfonate

  • Molecular FormulaC16H12O6S
  • Average mass332.328 Da
  • Monoisotopic mass332.035461 Da
  • ChemSpider ID70379553

More details:

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

2H-1-Benzopyran-6-sulfonic acid, 2-oxo-, 4-methoxyphenyl ester [ACD/Index Name]
2-Oxo-2H-chromène-6-sulfonate de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-Methoxyphenyl 2-oxo-2H-chromene-6-sulfonate [ACD/IUPAC Name]
4-Methoxyphenyl-2-oxo-2H-chromen-6-sulfonat [German] [ACD/IUPAC Name]
2415510-69-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.38
ACD/KOC (pH 5.5): 473.75
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.38
ACD/KOC (pH 7.4): 473.75
Polar Surface Area: 87 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 234.8±3.0 cm3

Click to predict properties on the Chemicalize site


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