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859112-29-1

859112-29-1 structural image
Product Name: ethyl 2-{[(6,7-dihydroxy-2-oxo-2H-chromen-4-yl)methyl]amino}benzoate
Formula: C19H17NO6
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COMPUTED DESCRIPTORS

Molecular Weight 355.3 g/mol
XLogP3 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 355.10558726 g/mol
Monoisotopic Mass 355.10558726 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 562
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes