ChemSpider 2D Image | 5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-1,3-thiazole-2-carboxylic acid | C8H5NO5S

5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC8H5NO5S
  • Average mass227.194 Da
  • Monoisotopic mass226.988846 Da
  • ChemSpider ID86954643

More details:

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

2-Thiazolecarboxylic acid, 5-(3-carboxy-3-hydroxy-1-propyn-1-yl)- [ACD/Index Name]
5-(3-Carboxy-3-hydroxy-1-propin-1-yl)-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-(3-carboxy-3-hydroxy-1-propyn-1-yl)-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 577.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 48.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 124.4±5.0 dyne/cm
Molar Volume: 125.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement