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454473-83-7

454473-83-7 structural image
Product Name: 3-N-BOC-3-(4-METHYLTHIOPHENYL)PROPIONIC ACID
Formula: C15H21NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 311.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 311.11912932 g/mol
Monoisotopic Mass 311.11912932 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 359
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

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