ChemSpider 2D Image | 3,4-Dihydroxyphenyl methanesulfonate | C7H8O5S

3,4-Dihydroxyphenyl methanesulfonate

  • Molecular FormulaC7H8O5S
  • Average mass204.200 Da
  • Monoisotopic mass204.009247 Da
  • ChemSpider ID24207147

More details:

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

1,2,4-Benzenetriol, 4-methanesulfonate [ACD/Index Name]
3,4-Dihydroxyphenyl methanesulfonate [ACD/IUPAC Name]
3,4-Dihydroxyphenyl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de 3,4-dihydroxyphényle [French] [ACD/IUPAC Name]
1,2,4-Benzenetriol, 4-methanesulfonate (9CI)
101959-14-2 [RN]
MFCD24725189

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

Density: 1.6±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 216.9±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 45.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.31
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.52
Polar Surface Area: 92 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 131.3±3.0 cm3

Click to predict properties on the Chemicalize site


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