1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid


Chemical Name: 1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid
CAS Number: 321970-62-1
Product Number: AG019IMN(AG019IMN)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O6S
Molecular Weight: 314.3144

Identification/Properties


Computed Properties
Molecular Weight:
314.312g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
314.057g/mol
Monoisotopic Mass:
314.057g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
501
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

Safety Information


NMR Spectrum


Other Analytical Data


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