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127785-96-0

127785-96-0 structural image
Product Name: 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate
Formula: C19H20N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 340.4 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 340.14230712 g/mol
Monoisotopic Mass 340.14230712 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 372
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes