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Home > Other Heterocycles > 281-08-3
281-08-3 | 3,9-dioxa-7-azabicyclo[3.3.1]nonane
CAS No: 281-08-3 Catalog No: AG01AK53 MDL No:MFCD19686547
Product Description
Catalog Number:
AG01AK53
Chemical Name:
3,9-dioxa-7-azabicyclo[3.3.1]nonane
CAS Number:
281-08-3
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD19686547
IUPAC Name:
3,9-dioxa-7-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C6H11NO2/c1-5-3-8-4-6(9-5)2-7-1/h5-7H,1-4H2
InChI Key:
CGYYAUFHKJHMCK-UHFFFAOYSA-N
SMILES:
N1CC2COCC(C1)O2
Properties
Complexity:
97.2
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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