ChemSpider 2D Image | 5-Formyl-4-(2-furylethynyl)-2-thiophenecarboxylic acid | C12H6O4S

5-Formyl-4-(2-furylethynyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC12H6O4S
  • Average mass246.239 Da
  • Monoisotopic mass245.998672 Da
  • ChemSpider ID95459759

More details:

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

2-Thiophenecarboxylic acid, 5-formyl-4-[2-(2-furanyl)ethynyl]- [ACD/Index Name]
5-Formyl-4-(2-furylethinyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Formyl-4-(2-furylethynyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-formyl-4-(2-furyléthynyl)-2-thiophènecarboxylique [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: 506.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 162.5±5.0 cm3

Click to predict properties on the Chemicalize site


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