HEXAHYDRO-2H-ISOTHIAZOLO[2,3-A]PYRIDINE 1,1-DIOXIDE


Chemical Name: HEXAHYDRO-2H-ISOTHIAZOLO[2,3-A]PYRIDINE 1,1-DIOXIDE
CAS Number: 91981-72-5
Product Number: AG01DTCV(AG01DTCV)
Synonyms:
MDL No:
Molecular Formula: C7H13NO2S
Molecular Weight: 175.2486

Identification/Properties


Computed Properties
Molecular Weight:
175.246g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
175.067g/mol
Monoisotopic Mass:
175.067g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
242
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

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NMR Spectrum


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