3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-1-(1-oxopropyl)-, 2,2-dioxide, (3aS,6R,7aR)-


Chemical Name: 3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-1-(1-oxopropyl)-, 2,2-dioxide, (3aS,6R,7aR)-
CAS Number: 125664-95-1
Product Number: AG000OBI(AGN-PC-0PI3RK)
Synonyms:
MDL No: MFCD00269689
Molecular Formula: C13H21NO3S
Molecular Weight: 271.3757

Identification/Properties


Properties
BP:
384.8±25.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
271.375g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
271.124g/mol
Monoisotopic Mass:
271.124g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
505
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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