ChemSpider 2D Image | 1H-4,2,1-Benzoxathiazine-7-carboxylic acid 2,2-dioxide | C8H7NO5S

1H-4,2,1-Benzoxathiazine-7-carboxylic acid 2,2-dioxide

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID62001176

More details:






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

1H-4,2,1-Benzoxathiazin-7-carbonsäure-2,2-dioxid [German] [ACD/IUPAC Name]
1H-4,2,1-Benzoxathiazine-7-carboxylic acid 2,2-dioxide [ACD/IUPAC Name]
1H-4,2,1-Benzoxathiazine-7-carboxylic acid, 2,2-dioxide [ACD/Index Name]
Acide 2,2-dioxyde de -1H-4,2,1-benzoxathiazine-7-carboxylique [French] [ACD/IUPAC Name]
1891674-67-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 460.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.2±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 142.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement