4-methylbenzenesulfonic acid;1-(4-methylphenyl)sulfonylpyrrolidin-3-ol


Chemical Name: 4-methylbenzenesulfonic acid;1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CAS Number: 131912-34-0
Product Number: AG000ZWV(AGN-PC-0JEK5O)
Synonyms:
MDL No:
Molecular Formula: C18H21NO5S2
Molecular Weight: 395.4930

Identification/Properties


Computed Properties
Molecular Weight:
395.488g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
395.086g/mol
Monoisotopic Mass:
395.086g/mol
Topological Polar Surface Area:
97.5A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
663
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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