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904818-28-6

904818-28-6 structural image
Product Name: [CYANO-(3,4,5-TRIMETHOXY-PHENYL)-METHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Formula: C16H22N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 322.36 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 322.15287181 g/mol
Monoisotopic Mass 322.15287181 g/mol
Topological Polar Surface Area 89.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 426
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 1
Compound Is Canonicalized Yes