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112470-87-8 | 3-Thia-7-azoniabicyclo[3.3.1]nonane, 7,7-dimethyl-9-oxo-, iodide
CAS No: 112470-87-8 Catalog No: AG0082HA MDL No:
Product Description
Catalog Number:
AG0082HA
Chemical Name:
3-Thia-7-azoniabicyclo[3.3.1]nonane, 7,7-dimethyl-9-oxo-, iodide
CAS Number:
112470-87-8
Molecular Formula:
C9H16INOS
Molecular Weight:
313.1989
IUPAC Name:
7,7-dimethyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one;iodide
InChI:
InChI=1S/C9H16NOS.HI/c1-10(2)3-7-5-12-6-8(4-10)9(7)11;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
AXWMMKJTLBNBHK-UHFFFAOYSA-M
SMILES:
O=C1C2CSCC1C[N+](C2)(C)C.[I-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.197g/mol
Monoisotopic Mass:
313g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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