ChemSpider 2D Image | 3-(3-Methoxyphenyl)isothiazole-5-carboxylic acid | C11H9NO3S

3-(3-Methoxyphenyl)isothiazole-5-carboxylic acid

  • Molecular FormulaC11H9NO3S
  • Average mass235.259 Da
  • Monoisotopic mass235.030319 Da
  • ChemSpider ID14960120

More details:

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

3-(3-Methoxyphenyl)-1,2-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(3-Methoxyphenyl)-1,2-thiazole-5-carboxylic acid [ACD/IUPAC Name]
3-(3-Methoxyphenyl)isothiazole-5-carboxylic acid
5-Isothiazolecarboxylic acid, 3-(3-methoxyphenyl)- [ACD/Index Name]
82433-00-9 [RN]
Acide 3-(3-méthoxyphényl)-1,2-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
[82433-00-9] [RN]
3-(3-Methoxyphenyl)isothiazole-5-carboxylicacid
MFCD18800989 [MDL number]
N-Hydroxynicotinamidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 351.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±3.0 kJ/mol
    Flash Point: 166.6±25.7 °C
    Index of Refraction: 1.618
    Molar Refractivity: 60.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.72
    ACD/LogD (pH 7.4): -0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 56.4±3.0 dyne/cm
    Molar Volume: 174.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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