ChemSpider 2D Image | 5-Formyl-1,3-thiazole-4-carboxylic acid | C5H3NO3S

5-Formyl-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC5H3NO3S
  • Average mass157.147 Da
  • Monoisotopic mass156.983368 Da
  • ChemSpider ID24222557

More details:

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

4-Thiazolecarboxylic acid, 5-formyl- [ACD/Index Name]
5-Formyl-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Formyl-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
933720-99-1 [RN]
Acide 5-formyl-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
4-thiazolecarboxylic acid,5-formyl-
5-formylthiazole-4-carboxylic acid
5-Formyl-thiazole-4-carboxylic acid
AGN-PC-07AUK1
AKOS022715456
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 392.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 191.0±23.7 °C
    Index of Refraction: 1.680
    Molar Refractivity: 36.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.07
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.83
    ACD/LogD (pH 7.4): -2.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 84.2±3.0 dyne/cm
    Molar Volume: 96.3±3.0 cm3

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