Found 3 results

Search term: WPIBQCLJOVBCHF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E,4E)-5-(2-Furyl)-2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid | C13H12O4S2

(2E,4E)-5-(2-Furyl)-2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid

  • Molecular FormulaC13H12O4S2
  • Average mass296.362 Da
  • Monoisotopic mass296.017700 Da
  • ChemSpider ID62242392

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-5-(2-Furyl)-2-(4-methyl-1,3-dithiolan-2-yliden)-3-oxo-4-pentensäure [German] [ACD/IUPAC Name]
(2E,4E)-5-(2-Furyl)-2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid [ACD/IUPAC Name]
4-Pentenoic acid, 5-(2-furanyl)-2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxo-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-(2-furyl)-2-(4-méthyl-1,3-dithiolan-2-ylidène)-3-oxo-4-penténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 452.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 209.5±3.0 cm3

Click to predict properties on the Chemicalize site


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