ChemSpider 2D Image | 4-(3-Methoxy-3-oxo-1-propyn-1-yl)-5-(methylsulfonyl)-2-thiophenecarboxylic acid | C10H8O6S2

4-(3-Methoxy-3-oxo-1-propyn-1-yl)-5-(methylsulfonyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC10H8O6S2
  • Average mass288.297 Da
  • Monoisotopic mass287.976227 Da
  • ChemSpider ID87835484

More details:

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

2-Thiophenecarboxylic acid, 4-(3-methoxy-3-oxo-1-propyn-1-yl)-5-(methylsulfonyl)- [ACD/Index Name]
4-(3-Methoxy-3-oxo-1-propin-1-yl)-5-(methylsulfonyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(3-Methoxy-3-oxo-1-propyn-1-yl)-5-(methylsulfonyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(3-méthoxy-3-oxo-1-propyn-1-yl)-5-(méthylsulfonyl)-2-thiophènecarboxylique [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: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.8±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
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: 77.3±5.0 dyne/cm
Molar Volume: 178.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement