1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylic acid


Chemical Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylic acid
CAS Number: 851170-85-9
Product Number: AG019NYF(AGN-PC-0KGUMI)
Synonyms:
MDL No: MFCD06380386
Molecular Formula: C13H14N2O4S
Molecular Weight: 294.3263

Identification/Properties


Computed Properties
Molecular Weight:
294.325g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
294.067g/mol
Monoisotopic Mass:
294.067g/mol
Topological Polar Surface Area:
95.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
529
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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