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85615-21-0

85615-21-0 structural image
Product Name: Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-2-methyl-5-o xo-4-(2-(trifluoromethyl)phenyl)-, ethyl ester
Formula: C18H16F3NO4
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COMPUTED DESCRIPTORS

Molecular Weight 367.3 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 367.10314248 g/mol
Monoisotopic Mass 367.10314248 g/mol
Topological Polar Surface Area 64.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 680
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes