ChemSpider 2D Image | 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid | C9H7NO3S

3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid

  • Molecular FormulaC9H7NO3S
  • Average mass209.222 Da
  • Monoisotopic mass209.014664 Da
  • ChemSpider ID45658227

More details:






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

1094107-96-6 [RN]
2H-1,4-Benzothiazine-7-carboxylic acid, 3,4-dihydro-3-oxo- [ACD/Index Name]
3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-7-carbonsäure [German] [ACD/IUPAC Name]
3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid [ACD/IUPAC Name]
Acide 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylique [French] [ACD/IUPAC Name]
3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-7-carboxylic acid
MFCD24484189

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.50
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 140.8±3.0 cm3

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