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Home > Other Heterocycles > 82264-25-3
82264-25-3 | 1-Azoniabicyclo[2.2.2]octane, 3-(acetyloxy)-1-methyl-, (3R)-
CAS No: 82264-25-3 Catalog No: AG005GI7 MDL No:
Product Description
Catalog Number:
AG005GI7
Chemical Name:
1-Azoniabicyclo[2.2.2]octane, 3-(acetyloxy)-1-methyl-, (3R)-
CAS Number:
82264-25-3
Molecular Formula:
C10H18NO2+
Molecular Weight:
184.2554
IUPAC Name:
[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
InChI:
InChI=1S/C10H18NO2/c1-8(12)13-10-7-11(2)5-3-9(10)4-6-11/h9-10H,3-7H2,1-2H3/q+1/t9?,10-,11?/m0/s1
InChI Key:
OROYXWCEQBVSLR-YVNMAJEFSA-N
SMILES:
CC(=O)O[C@H]1C[N+]2(C)CCC1CC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.134g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.259g/mol
Monoisotopic Mass:
184.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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