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Home > Other Heterocycles > 280-50-2
280-50-2 | 2-oxa-3-azabicyclo[2.2.2]octane
CAS No: 280-50-2 Catalog No: AG01BVOY MDL No:MFCD30497607
Product Description
Catalog Number:
AG01BVOY
Chemical Name:
2-oxa-3-azabicyclo[2.2.2]octane
CAS Number:
280-50-2
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD30497607
IUPAC Name:
2-oxa-3-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C6H11NO/c1-3-6-4-2-5(1)7-8-6/h5-7H,1-4H2
InChI Key:
ZOBADFAILWOYHX-UHFFFAOYSA-N
SMILES:
C1CC2CCC1ON2
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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