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Home > Other Heterocycles > 1632-26-4
1632-26-4 | 1,2-Diazabicyclo[2.2.2]octan-3-one
CAS No: 1632-26-4 Catalog No: AG001TV5 MDL No:
Product Description
Catalog Number:
AG001TV5
Chemical Name:
1,2-Diazabicyclo[2.2.2]octan-3-one
CAS Number:
1632-26-4
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
1,2-diazabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C6H10N2O/c9-6-5-1-3-8(7-6)4-2-5/h5H,1-4H2,(H,7,9)
InChI Key:
NDZACTZHUWMHTA-UHFFFAOYSA-N
SMILES:
O=C1NN2CCC1CC2
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:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Paraherquamide e. | Acta crystallographica. Section E, Structure reports online 20100901 |
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