ChemSpider 2D Image | Methyl 3-[(2-formyl-3-thienyl)ethynyl]-2-oxo-2H-pyran-5-carboxylate | C14H8O5S

Methyl 3-[(2-formyl-3-thienyl)ethynyl]-2-oxo-2H-pyran-5-carboxylate

  • Molecular FormulaC14H8O5S
  • Average mass288.275 Da
  • Monoisotopic mass288.009247 Da
  • ChemSpider ID83411893

More details:

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

2H-Pyran-5-carboxylic acid, 3-[2-(2-formyl-3-thienyl)ethynyl]-2-oxo-, methyl ester [ACD/Index Name]
3-[(2-Formyl-3-thiényl)éthynyl]-2-oxo-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(2-formyl-3-thienyl)ethynyl]-2-oxo-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-3-[(2-formyl-3-thienyl)ethinyl]-2-oxo-2H-pyran-5-carboxylat [German] [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: 468.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.2±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.70
ACD/KOC (pH 5.5): 238.36
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.70
ACD/KOC (pH 7.4): 238.36
Polar Surface Area: 98 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

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