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Search term: VBQKKFYNYKOSKN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 1-(1,1-dioxidotetrahydro-3-thiophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxylate | C20H20N2O8S

(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 1-(1,1-dioxidotetrahydro-3-thiophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxylate

  • Molecular FormulaC20H20N2O8S
  • Average mass448.446 Da
  • Monoisotopic mass448.094025 Da
  • ChemSpider ID21691753

More details:






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

(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl 1-(1,1-dioxidotetrahydro-3-thiophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxylate [ACD/IUPAC Name]
(7-Methoxy-2-oxo-2H-chromen-4-yl)methyl-1-(1,1-dioxidotetrahydro-3-thiophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazincarboxylat [German] [ACD/IUPAC Name]
1-(1,1-Dioxydotétrahydro-3-thiophényl)-6-oxo-1,4,5,6-tétrahydro-3-pyridazinecarboxylate de (7-méthoxy-2-oxo-2H-chromén-4-yl)méthyle [French] [ACD/IUPAC Name]
3-Pyridazinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo-1-(tetrahydro-1,1-dioxido-3-thienyl)-, (7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 705.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.18
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.18
Polar Surface Area: 137 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 286.5±7.0 cm3

Click to predict properties on the Chemicalize site






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