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Home > Other Heterocycles > 278-61-5
278-61-5 | 4-Oxa-1,7-diazabicyclo[5.2.0]nonane (8CI,9CI)
CAS No: 278-61-5 Catalog No: AG002US6 MDL No:
Product Description
Catalog Number:
AG002US6
Chemical Name:
4-Oxa-1,7-diazabicyclo[5.2.0]nonane (8CI,9CI)
CAS Number:
278-61-5
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
4-oxa-1,7-diazabicyclo[5.2.0]nonane
InChI:
InChI=1S/C6H12N2O/c1-2-8-4-6-9-5-3-7(1)8/h1-6H2
InChI Key:
XJCQDHJGFWTSNE-UHFFFAOYSA-N
SMILES:
O1CCN2N(CC1)CC2
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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