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, version: 14.00

    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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