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Home > Other Heterocycles > 116777-35-6
116777-35-6 | 3-Oxa-1,5-diazabicyclo[3.2.2]nonane (9CI)
CAS No: 116777-35-6 Catalog No: AG000D76 MDL No:
Product Description
Catalog Number:
AG000D76
Chemical Name:
3-Oxa-1,5-diazabicyclo[3.2.2]nonane (9CI)
CAS Number:
116777-35-6
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
3-oxa-1,5-diazabicyclo[3.2.2]nonane
InChI:
InChI=1S/C6H12N2O/c1-2-8-4-3-7(1)5-9-6-8/h1-6H2
InChI Key:
KELSNAVJPDAVNZ-UHFFFAOYSA-N
SMILES:
O1CN2CCN(C1)CC2
Properties
Complexity:
87.2
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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