ChemSpider 2D Image | 2-(Methoxymethyl)thiazole-4-carboxylic acid | C6H7NO3S

2-(Methoxymethyl)thiazole-4-carboxylic acid

  • Molecular FormulaC6H7NO3S
  • Average mass173.190 Da
  • Monoisotopic mass173.014664 Da
  • ChemSpider ID22547502

More details:

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

1086380-07-5 [RN]
2-(Methoxymethyl)-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
2-(Methoxymethyl)thiazole-4-carboxylic acid
[1086380-07-5] [RN]
2-(methoxymethyl)-1,3-thiazole-4-carboxylicacid
2-(Methoxymethyl)thiazole-4-carboxylicacid
atoms 11 bonds 11
methyl 2-amino-2-methyl-butanoate
MFCD09258843 [MDL number]
TS-00166

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 316.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 145.0±22.3 °C
    Index of Refraction: 1.575
    Molar Refractivity: 41.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.28
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 123.8±3.0 cm3

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