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Home > Other Heterocycles > 828255-55-6
828255-55-6 | 1-Azabicyclo[3.2.1]octane, 5-(5-methyl-1,3,4-oxadiazol-2-yl)-, 1-oxide
CAS No: 828255-55-6 Catalog No: AG00568N MDL No:
Product Description
Catalog Number:
AG00568N
Chemical Name:
1-Azabicyclo[3.2.1]octane, 5-(5-methyl-1,3,4-oxadiazol-2-yl)-, 1-oxide
CAS Number:
828255-55-6
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
IUPAC Name:
2-methyl-5-(1-oxido-1-azoniabicyclo[3.2.1]octan-5-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C10H15N3O2/c1-8-11-12-9(15-8)10-3-2-5-13(14,7-10)6-4-10/h2-7H2,1H3
InChI Key:
DVBUHGZFFKCYKE-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)C12CCC[N+](C2)(CC1)[O-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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