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Home > Other Heterocycles > 873336-52-8
873336-52-8 | 3,7-dioxa-9-azabicyclo[3.3.1]nonane
CAS No: 873336-52-8 Catalog No: AG01A2ZE MDL No:MFCD19217395
Product Description
Catalog Number:
AG01A2ZE
Chemical Name:
3,7-dioxa-9-azabicyclo[3.3.1]nonane
CAS Number:
873336-52-8
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD19217395
IUPAC Name:
3,7-dioxa-9-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2
InChI Key:
NHUACECKDDIIEA-UHFFFAOYSA-N
SMILES:
O1CC2COCC(C1)N2
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:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Concise synthesis of 3,7-dioxa-9-aza-bicyclo[3,3,1]-nonane. | The Journal of organic chemistry 20060106 |
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