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Home > Other Heterocycles > 125185-59-3
125185-59-3 | 1-Azabicyclo[2.2.2]octane-4-carbonitrile, sulfate (9CI)
CAS No: 125185-59-3 Catalog No: AG000NBC MDL No:
Product Description
Catalog Number:
AG000NBC
Chemical Name:
1-Azabicyclo[2.2.2]octane-4-carbonitrile, sulfate (9CI)
CAS Number:
125185-59-3
Molecular Formula:
C8H14N2O4S
Molecular Weight:
234.2728
IUPAC Name:
1-azabicyclo[2.2.2]octane-4-carbonitrile;sulfuric acid
InChI:
InChI=1S/C8H12N2.H2O4S/c9-7-8-1-4-10(5-2-8)6-3-8;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)
InChI Key:
DLPWZHXPVXGLBC-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.N#CC12CCN(CC1)CC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.27g/mol
Monoisotopic Mass:
234.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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