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Search term: NJRGQNNSIAFIJC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate | C14H13NO4S

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC14H13NO4S
  • Average mass291.322 Da
  • Monoisotopic mass291.056519 Da
  • ChemSpider ID23346139

More details:

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

161798-01-2 [RN]
2-(3-Formyl-4-hydroxyphényl)-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate
Ethyl-2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
T5N CSJ BR DQ CVH& DVO2 E1 [WLN]
(4R)-4-Methyl-1,3,2-dioxathiolane2,2-dioxide
[161798-01-2] [RN]
5-Thiazolecarboxylic acid,2-(3-formyl-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: 1.3±0.1 g/cm3
    Boiling Point: 446.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 223.9±31.5 °C
    Index of Refraction: 1.625
    Molar Refractivity: 77.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.25
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 204.46
    ACD/KOC (pH 5.5): 1531.91
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 28.20
    ACD/KOC (pH 7.4): 211.30
    Polar Surface Area: 105 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 218.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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