4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole,tetrahydro-9,9-dimethyl-, 3,3-dioxide, (4aR,7S,8aR)-


Chemical Name: 4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole,tetrahydro-9,9-dimethyl-, 3,3-dioxide, (4aR,7S,8aR)-
CAS Number: 104372-31-8
Product Number: AG007HY1(AGN-PC-0OT9Y4)
Synonyms:
MDL No:
Molecular Formula: C10H15NO3S
Molecular Weight: 229.2960

Identification/Properties


Computed Properties
Molecular Weight:
229.294g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
229.077g/mol
Monoisotopic Mass:
229.077g/mol
Topological Polar Surface Area:
58.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
466
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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