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5446-46-8

5446-46-8 structural image
Product Name: BENZOYL-DL-A-ALANINE ETHYL ESTER
Formula: C12H15NO3
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COMPUTED DESCRIPTORS

Molecular Weight 221.25 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 221.10519334 g/mol
Monoisotopic Mass 221.10519334 g/mol
Topological Polar Surface Area 55.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 247
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