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19992-80-4

19992-80-4 structural image
Product Name: butixirate
Formula: C16H16O2.C12H17N
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COMPUTED DESCRIPTORS

Molecular Weight 415.6 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 415.251129295 g/mol
Monoisotopic Mass 415.251129295 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 402
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 2
Compound Is Canonicalized Yes