ChemSpider 2D Image | methyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate | C11H11NO3S

methyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate

  • Molecular FormulaC11H11NO3S
  • Average mass237.275 Da
  • Monoisotopic mass237.045959 Da
  • ChemSpider ID21131299

More details:

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

1210-63-5 [RN]
3(2H)-Benzothiazolepropanoic acid, 2-oxo-, methyl ester [ACD/Index Name]
3-(2-Oxo-1,3-benzothiazol-3(2H)-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoate [ACD/IUPAC Name]
methyl 3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoate
Methyl-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoat [German] [ACD/IUPAC Name]
[1210-63-5] [RN]
3-(2-Oxo-benzothiazol-3-yl)-propionic acid methyl ester
AGN-PC-0BG7NZ
AKOS015959918
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 391.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 190.8±28.4 °C
    Index of Refraction: 1.600
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.25
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.16
    ACD/KOC (pH 5.5): 255.01
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.16
    ACD/KOC (pH 7.4): 255.01
    Polar Surface Area: 72 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 179.6±3.0 cm3

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