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70111-45-4

70111-45-4 structural image
Product Name: 4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZOIC ACID
Formula: C13H17NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 283.35 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 283.08782920 g/mol
Monoisotopic Mass 283.08782920 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 420
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