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502133-50-8

502133-50-8 structural image
Product Name: 4-(5-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula: C11H15N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 321.37 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 321.16885622 g/mol
Monoisotopic Mass 321.16885622 g/mol
Topological Polar Surface Area 83 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 436
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