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Home > Other Heterocycles > 122603-53-6
122603-53-6 | 8-Oxa-4-thia-1-azabicyclo[3.2.1]octane, 7,7-dimethyl-, 4,4-dioxide
CAS No: 122603-53-6 Catalog No: AG0017IP MDL No:
Product Description
Catalog Number:
AG0017IP
Chemical Name:
8-Oxa-4-thia-1-azabicyclo[3.2.1]octane, 7,7-dimethyl-, 4,4-dioxide
CAS Number:
122603-53-6
Molecular Formula:
C7H13NO3S
Molecular Weight:
191.2480
IUPAC Name:
7,7-dimethyl-8-oxa-4λ6-thia-1-azabicyclo[3.2.1]octane 4,4-dioxide
InChI:
InChI=1S/C7H13NO3S/c1-7(2)5-6-11-8(7)3-4-12(6,9)10/h6H,3-5H2,1-2H3
InChI Key:
MUGRINGJVKYRLF-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCN2OC1CC2(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.062g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.245g/mol
Monoisotopic Mass:
191.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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