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22587-29-7

22587-29-7 structural image
Product Name: centpiperalone
Formula: C12H14N4O.C2H4O2
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COMPUTED DESCRIPTORS

Molecular Weight 290.32 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 290.13789045 g/mol
Monoisotopic Mass 290.13789045 g/mol
Topological Polar Surface Area 94 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 366
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 2
Compound Is Canonicalized Yes