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Home > Other Heterocycles > 146562-83-6
146562-83-6 | 1,4-Diazabicyclo[2.2.2]octan-2-one
CAS No: 146562-83-6 Catalog No: AG001E4T MDL No:
Product Description
Catalog Number:
AG001E4T
Chemical Name:
1,4-Diazabicyclo[2.2.2]octan-2-one
CAS Number:
146562-83-6
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
1,4-diazabicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C6H10N2O/c9-6-5-7-1-3-8(6)4-2-7/h1-5H2
InChI Key:
IRJSHJDADOVHTN-UHFFFAOYSA-N
SMILES:
O=C1CN2CCN1CC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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