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87679-38-7

87679-38-7 structural image
Product Name: Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride
Formula: C16H22ClNO2
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COMPUTED DESCRIPTORS

Molecular Weight 259.34 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 259.157228913 g/mol
Monoisotopic Mass 259.157228913 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 312
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes