ChemSpider 2D Image | 5-(Thiazol-2-yl)isoxazole-3-carboxylic acid | C7H4N2O3S

5-(Thiazol-2-yl)isoxazole-3-carboxylic acid

  • Molecular FormulaC7H4N2O3S
  • Average mass196.183 Da
  • Monoisotopic mass195.994263 Da
  • ChemSpider ID28573036

More details:

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

3-Isoxazolecarboxylic acid, 5-(2-thiazolyl)- [ACD/Index Name]
5-(1,3-Thiazol-2-yl)-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(1,3-Thiazol-2-yl)-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-(Thiazol-2-yl)isoxazole-3-carboxylic acid
933759-69-4 [RN]
Acide 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[933759-69-4] [RN]
21896-59-3 [RN]
5-(2-THIAZOLYL)ISOXAZOLE-3-CARBOXYLIC ACID
5-(2-thiazolyl)isoxazole-3-carboxylicacid
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 487.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 248.7±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 44.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 73.0±3.0 dyne/cm
    Molar Volume: 126.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement