ChemSpider 2D Image | (2E)-4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-butenoic acid | C11H9NO5S

(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-butenoic acid

  • Molecular FormulaC11H9NO5S
  • Average mass267.258 Da
  • Monoisotopic mass267.020142 Da
  • ChemSpider ID22871916

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)but-2-enoic acid
2-Butenoic acid, 4-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-, (2E)- [ACD/Index Name]
Acide (2E)-4-(3-oxo-1,1-dioxydo-1,2-benzothiazol-2(3H)-yl)-2-buténoïque [French] [ACD/IUPAC Name]
(2E)-4-(1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazol-2-yl)but-2-enoic acid
(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)but-2-enoic acid
(E)-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enoic acid
(e)-4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)but-2-enoic acid
10295-14-4 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 555.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.1±3.0 kJ/mol
    Flash Point: 289.8±32.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 62.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): -0.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.07
    ACD/LogD (pH 7.4): -2.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 68.7±3.0 dyne/cm
    Molar Volume: 171.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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