ChemSpider 2D Image | methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate | C9H7NO4S

methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate

  • Molecular FormulaC9H7NO4S
  • Average mass225.221 Da
  • Monoisotopic mass225.009583 Da
  • ChemSpider ID29204678

More details:

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

7-Hydroxy-5-oxo-4,5-dihydrothiéno[3,2-b]pyridine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
90691-13-7 [RN]
methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate
Methyl 7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylate [ACD/IUPAC Name]
Methyl-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[3,2-b]pyridine-6-carboxylic acid, 4,5-dihydro-7-hydroxy-5-oxo-, methyl ester [ACD/Index Name]
MFCD08059494

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

Density: 1.6±0.1 g/cm3
Boiling Point: 476.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.659
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site


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