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Home > Other Heterocycles > 1822567-54-3
1822567-54-3 | 2,6-Diaza-bicyclo[3.2.1]octan-7-one
CAS No: 1822567-54-3 Catalog No: AG01EJ12 MDL No:MFCD24496421
Product Description
Catalog Number:
AG01EJ12
Chemical Name:
2,6-Diaza-bicyclo[3.2.1]octan-7-one
CAS Number:
1822567-54-3
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD24496421
IUPAC Name:
2,6-diazabicyclo[3.2.1]octan-7-one
InChI:
InChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChI Key:
HKYILJYPUXYXKL-UHFFFAOYSA-N
SMILES:
O=C1NC2CC1NCC2
Properties
Complexity:
146
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:
2
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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