ChemSpider 2D Image | Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate | C14H12N2O3S

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate

  • Molecular FormulaC14H12N2O3S
  • Average mass288.322 Da
  • Monoisotopic mass288.056854 Da
  • ChemSpider ID26519628

More details:

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

161798-02-3 [RN]
2-(3-Cyano-4-hydroxyphényl)-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-(3-cyano-4-hydroxyphenyl)-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate
ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
Ethyl-2-(3-cyan-4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
[161798-02-3] [RN]
2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethyl ester
5-Thiazolecarboxylic acid,2-(3-cyano-4-hydroxyphenyl)-4-methyl-,ethyl ester
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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: 1.4±0.1 g/cm3
    Boiling Point: 475.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 241.3±31.5 °C
    Index of Refraction: 1.629
    Molar Refractivity: 73.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 57.61
    ACD/KOC (pH 5.5): 529.35
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 1.60
    ACD/KOC (pH 7.4): 14.70
    Polar Surface Area: 111 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 207.9±5.0 cm3

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