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

3-Formyl-1,2-thiazole-5-carboxylic acid

  • Molecular FormulaC5H3NO3S
  • Average mass157.147 Da
  • Monoisotopic mass156.983368 Da
  • ChemSpider ID65416206

More details:

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

3-Formyl-1,2-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Formyl-1,2-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Isothiazolecarboxylic acid, 3-formyl- [ACD/Index Name]
Acide 3-formyl-1,2-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
2168445-34-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 244.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 101.6±26.8 °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: 0.19
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
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

Click to predict properties on the Chemicalize site


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