ChemSpider 2D Image | (3-Oxo-1,2-benzothiazol-2(3H)-yl)acetic acid | C9H7NO3S

(3-Oxo-1,2-benzothiazol-2(3H)-yl)acetic acid

  • Molecular FormulaC9H7NO3S
  • Average mass209.222 Da
  • Monoisotopic mass209.014664 Da
  • ChemSpider ID13681790

More details:

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

(3-Oxo-1,2-benzothiazol-2(3H)-yl)acetic acid [ACD/IUPAC Name]
(3-Oxo-1,2-benzothiazol-2(3H)-yl)essigsäure [German] [ACD/IUPAC Name]
1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo- [ACD/Index Name]
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid
82152-06-5 [RN]
Acide (3-oxo-1,2-benzothiazol-2(3H)-yl)acétique [French] [ACD/IUPAC Name]
(3-oxo-1,2-benzisothiazol-2(3H)-yl)acetic acid
(3-oxo-1,2-benzothiazol-2-yl)acetic acid
(3-Oxo-3H-benzo[d]isothiazol-2-yl)-acetic acid
2-(3-oxo-1,2-benzothiazol-2-yl)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 444.9±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 222.8±29.3 °C
    Index of Refraction: 1.678
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.09
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 70.1±3.0 dyne/cm
    Molar Volume: 137.8±3.0 cm3

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