ChemSpider 2D Image | 1-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-pyrrolidinecarboxylic acid | C11H13NO5S2

1-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC11H13NO5S2
  • Average mass303.355 Da
  • Monoisotopic mass303.023499 Da
  • ChemSpider ID54650504

More details:

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

1-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[5-(methylsulfonyl)-3-thienyl]carbonyl]- [ACD/Index Name]
Acide 1-{[5-(méthylsulfonyl)-3-thiényl]carbonyl}-3-pyrrolidinecarboxylique [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: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site


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