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1250999-42-8

1250999-42-8 structural image
Product Name: Ethyl 4-Oxo-1,2,3,4,5,6-Hexahydro-1,5-Methanobenzo[D]Azocine-5-Carboxylate
Formula: C15H17NO3
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COMPUTED DESCRIPTORS

Molecular Weight 259.30 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 259.12084340 g/mol
Monoisotopic Mass 259.12084340 g/mol
Topological Polar Surface Area 55.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 395
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes