ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde | C12H11NO3S

2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde

  • Molecular FormulaC12H11NO3S
  • Average mass249.286 Da
  • Monoisotopic mass249.045959 Da
  • ChemSpider ID21521244

More details:

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

2-(3,4-Dimethoxyphenyl)-1,3-thiazol-5-carbaldehyd [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-1,3-thiazole-5-carbaldehyde [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-1,3-thiazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde
5-Thiazolecarboxaldehyde, 2-(3,4-dimethoxyphenyl)- [ACD/Index Name]
914348-85-9 [RN]
[914348-85-9] [RN]
AGN-PC-07A1F3
ANW-45014
BD228161
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 413.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.1±31.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 67.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.37
    ACD/KOC (pH 5.5): 268.62
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.37
    ACD/KOC (pH 7.4): 268.62
    Polar Surface Area: 77 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 197.1±3.0 cm3

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