ChemSpider 2D Image | 5-{[(3-Methoxyphenyl)sulfonyl]methyl}-2-furoic acid | C13H12O6S

5-{[(3-Methoxyphenyl)sulfonyl]methyl}-2-furoic acid

  • Molecular FormulaC13H12O6S
  • Average mass296.296 Da
  • Monoisotopic mass296.035461 Da
  • ChemSpider ID23374942

More details:

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

2-Furancarboxylic acid, 5-[[(3-methoxyphenyl)sulfonyl]methyl]- [ACD/Index Name]
5-{[(3-Methoxyphenyl)sulfonyl]methyl}-2-furoesäure [German] [ACD/IUPAC Name]
5-{[(3-Methoxyphenyl)sulfonyl]methyl}-2-furoic acid [ACD/IUPAC Name]
Acide 5-{[(3-méthoxyphényl)sulfonyl]méthyl}-2-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 211.2±3.0 cm3

Click to predict properties on the Chemicalize site


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