ChemSpider 2D Image | 3-Methyl-2-(sulfooxy)benzoic acid | C8H8O6S

3-Methyl-2-(sulfooxy)benzoic acid

  • Molecular FormulaC8H8O6S
  • Average mass232.210 Da
  • Monoisotopic mass232.004150 Da
  • ChemSpider ID58812659

More details:

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

3-Methyl-2-(sulfooxy)benzoesäure [German] [ACD/IUPAC Name]
3-Methyl-2-(sulfooxy)benzoic acid [ACD/IUPAC Name]
Acide 3-méthyl-2-(sulfooxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-methyl-2-(sulfooxy)- [ACD/Index Name]
61641-18-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 49.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 144.3±3.0 cm3

Click to predict properties on the Chemicalize site


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