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52661-97-9

52661-97-9 structural image
Product Name: CYCLO(-ASP-GLY)
Formula: C6H8N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 172.14 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 172.04840674 g/mol
Monoisotopic Mass 172.04840674 g/mol
Topological Polar Surface Area 95.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 238
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes