ChemSpider 2D Image | 5-(Methylsulfonyl)-3-furoic acid | C6H6O5S

5-(Methylsulfonyl)-3-furoic acid

  • Molecular FormulaC6H6O5S
  • Average mass190.174 Da
  • Monoisotopic mass189.993591 Da
  • ChemSpider ID37653477

More details:

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

1520606-32-9 [RN]
3-Furancarboxylic acid, 5-(methylsulfonyl)- [ACD/Index Name]
5-(Methylsulfonyl)-3-furoesäure [German] [ACD/IUPAC Name]
5-(Methylsulfonyl)-3-furoic acid [ACD/IUPAC Name]
5-methanesulfonylfuran-3-carboxylic acid
Acide 5-(méthylsulfonyl)-3-furoïque [French] [ACD/IUPAC Name]
MFCD29763372

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±28.7 °C
Index of Refraction: 1.528
Molar Refractivity: 39.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


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