4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid


Chemical Name: 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CAS Number: 328038-27-3
Product Number: AG00I69M(AGN-PC-0KBJHO)
Synonyms:
MDL No: MFCD02705286
Molecular Formula: C13H17NO5S
Molecular Weight: 299.3428

Identification/Properties


Computed Properties
Molecular Weight:
299.341g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
299.083g/mol
Monoisotopic Mass:
299.083g/mol
Topological Polar Surface Area:
92.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
440
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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