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1187932-04-2

1187932-04-2 structural image
Product Name: (S)-3-AMINOMETHYL-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
Formula: C18H20N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 296.4 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 296.152477885 g/mol
Monoisotopic Mass 296.152477885 g/mol
Topological Polar Surface Area 55.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 368
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