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52453-04-0

52453-04-0 structural image
Product Name: acecobarb
Formula: C18H21NO3.C12H12N2O3.C10H13NO2.C9H8O4.C8H10N4O2.H3O4P
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COMPUTED DESCRIPTORS

Molecular Weight 1183.2 g/mol
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 9
Exact Mass 1182.43109432 g/mol
Monoisotopic Mass 1182.43109432 g/mol
Topological Polar Surface Area 355 Ų
Heavy Atom Count 84
Formal Charge 0
Complexity 1560
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 6
Compound Is Canonicalized Yes