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Home > Other Heterocycles > 246540-57-8
246540-57-8 | 7lambda6-thia-1-azabicyclo[3.2.2]nonane-7,7-dione
CAS No: 246540-57-8 Catalog No: AG01B56Y MDL No:MFCD30342762
Product Description
Catalog Number:
AG01B56Y
Chemical Name:
7lambda6-thia-1-azabicyclo[3.2.2]nonane-7,7-dione
CAS Number:
246540-57-8
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD30342762
IUPAC Name:
7λ6-thia-1-azabicyclo[3.2.2]nonane 7,7-dioxide
InChI:
InChI=1S/C7H13NO2S/c9-11(10)6-7-2-1-4-8(11)5-3-7/h7H,1-6H2
InChI Key:
OPUYCSFHIXQCEQ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CCCN1CC2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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