ChemSpider 2D Image | {[5-(3-Methoxy-3-oxo-1-propyn-1-yl)-2-thienyl]sulfonyl}acetic acid | C10H8O6S2

{[5-(3-Methoxy-3-oxo-1-propyn-1-yl)-2-thienyl]sulfonyl}acetic acid

  • Molecular FormulaC10H8O6S2
  • Average mass288.297 Da
  • Monoisotopic mass287.976227 Da
  • ChemSpider ID90798668

More details:

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

{[5-(3-Methoxy-3-oxo-1-propin-1-yl)-2-thienyl]sulfonyl}essigsäure [German] [ACD/IUPAC Name]
{[5-(3-Methoxy-3-oxo-1-propyn-1-yl)-2-thienyl]sulfonyl}acetic acid [ACD/IUPAC Name]
2-Propynoic acid, 3-[5-[(carboxymethyl)sulfonyl]-2-thienyl]-, 1-methyl ester [ACD/Index Name]
Acide {[5-(3-méthoxy-3-oxo-1-propyn-1-yl)-2-thiényl]sulfonyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 576.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 179.2±5.0 cm3

Click to predict properties on the Chemicalize site


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