ChemSpider 2D Image | 4-Methoxy-1,3,2-benzodioxathiole-5,6-diol 2,2-dioxide | C7H6O7S

4-Methoxy-1,3,2-benzodioxathiole-5,6-diol 2,2-dioxide

  • Molecular FormulaC7H6O7S
  • Average mass234.183 Da
  • Monoisotopic mass233.983429 Da
  • ChemSpider ID128530318

More details:

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

1,3,2-Benzodioxathiole-5,6-diol, 4-methoxy-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 4-méthoxy-1,3,2-benzodioxathiole-5,6-diol [French] [ACD/IUPAC Name]
4-Methoxy-1,3,2-benzodioxathiol-5,6-diol-2,2-dioxid [German] [ACD/IUPAC Name]
4-Methoxy-1,3,2-benzodioxathiole-5,6-diol 2,2-dioxide [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 504.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 259.0±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 46.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.34
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.85
Polar Surface Area: 111 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 128.0±3.0 cm3

Click to predict properties on the Chemicalize site


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