ChemSpider 2D Image | 2-[Ethoxy(oxo)acetyl]-1,3-thiazole-4-carboxylic acid | C8H7NO5S

2-[Ethoxy(oxo)acetyl]-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID37559265

More details:

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

2-[Ethoxy(oxo)acetyl]-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-[Ethoxy(oxo)acetyl]-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
2-Thiazoleacetic acid, 4-carboxy-α-oxo-, α-ethyl ester [ACD/Index Name]
Acide 2-(2-éthoxy-2-oxoacétyl)-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 420.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 207.9±26.5 °C
Index of Refraction: 1.579
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Click to predict properties on the Chemicalize site


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