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88372-47-8

88372-47-8 structural image
Product Name: (S)-3-AMino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid
Formula: C12H14N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 234.25 g/mol
XLogP3 -1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 234.10044231 g/mol
Monoisotopic Mass 234.10044231 g/mol
Topological Polar Surface Area 83.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 319
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