ChemSpider 2D Image | 3-(Aminomethyl)-3H-2,1-benzoxathiole-5,6,7-triol 1,1-dioxide | C8H9NO6S

3-(Aminomethyl)-3H-2,1-benzoxathiole-5,6,7-triol 1,1-dioxide

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID61059627

More details:

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

1,1-Dioxyde de 3-(aminométhyl)-3H-2,1-benzoxathiole-5,6,7-triol [French] [ACD/IUPAC Name]
3-(Aminomethyl)-3H-2,1-benzoxathiol-5,6,7-triol-1,1-dioxid [German] [ACD/IUPAC Name]
3-(Aminomethyl)-3H-2,1-benzoxathiole-5,6,7-triol 1,1-dioxide [ACD/IUPAC Name]
3H-2,1-Benzoxathiole-5,6,7-triol, 3-(aminomethyl)-, 1,1-dioxide [ACD/Index Name]
873986-02-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 52.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 98.5±3.0 dyne/cm
Molar Volume: 136.2±3.0 cm3

Click to predict properties on the Chemicalize site


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