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Home > Other Heterocycles > 136562-00-0
136562-00-0 | 1-Azoniabicyclo[2.2.2]octane, 3-hydroxy-1-(1-methylethyl)-
CAS No: 136562-00-0 Catalog No: AG00122C MDL No:
Product Description
Catalog Number:
AG00122C
Chemical Name:
1-Azoniabicyclo[2.2.2]octane, 3-hydroxy-1-(1-methylethyl)-
CAS Number:
136562-00-0
Molecular Formula:
C10H20NO+
Molecular Weight:
170.2719
IUPAC Name:
1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C10H20NO/c1-8(2)11-5-3-9(4-6-11)10(12)7-11/h8-10,12H,3-7H2,1-2H3/q+1
InChI Key:
MDFQFGVZCIFBAF-UHFFFAOYSA-N
SMILES:
OC1C[N+]2(CCC1CC2)C(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.154g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.276g/mol
Monoisotopic Mass:
170.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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