ChemSpider 2D Image | 2-(2-Carboxy-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid | C8H9NO6S

2-(2-Carboxy-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID61880636

More details:

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

2-(2-Carboxy-1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-(2-Carboxy-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
2-Thiazolepropanoic acid, 5-carboxy-α,β-dihydroxy-4-methyl- [ACD/Index Name]
Acide 2-(2-carboxy-1,2-dihydroxyéthyl)-4-méthyl-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
2090403-14-6 [RN]
2091527-10-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 105.6±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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