ChemSpider 2D Image | 4-[2-(Chlorocarbonyl)-3-thienyl]-2-hydroxy-3-butynoic acid | C9H5ClO4S

4-[2-(Chlorocarbonyl)-3-thienyl]-2-hydroxy-3-butynoic acid

  • Molecular FormulaC9H5ClO4S
  • Average mass244.652 Da
  • Monoisotopic mass243.959702 Da
  • ChemSpider ID85904981

More details:

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

3-Butynoic acid, 4-[2-(chlorocarbonyl)-3-thienyl]-2-hydroxy- [ACD/Index Name]
4-[2-(Chlorcarbonyl)-3-thienyl]-2-hydroxy-3-butinsäure [German] [ACD/IUPAC Name]
4-[2-(Chlorocarbonyl)-3-thienyl]-2-hydroxy-3-butynoic acid [ACD/IUPAC Name]
Acide 4-[2-(chlorocarbonyl)-3-thiényl]-2-hydroxy-3-butynoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 146.6±5.0 cm3

Click to predict properties on the Chemicalize site


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