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951624-87-6

951624-87-6 structural image
Product Name: 1-[2-(METHYLSULFONYL)-4-NITROPHENYL]PIPERIDINE-3-CARBOXYLIC ACID
Formula: C13H16N2O6S
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COMPUTED DESCRIPTORS

Molecular Weight 328.34 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 328.07290741 g/mol
Monoisotopic Mass 328.07290741 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 538
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