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Home > Other Heterocycles > 129572-61-8
129572-61-8 | 8-Oxa-3-azabicyclo[5.1.0]octane (9CI)
CAS No: 129572-61-8 Catalog No: AG000Z7N MDL No:
Product Description
Catalog Number:
AG000Z7N
Chemical Name:
8-Oxa-3-azabicyclo[5.1.0]octane (9CI)
CAS Number:
129572-61-8
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
8-oxa-3-azabicyclo[5.1.0]octane
InChI:
InChI=1S/C6H11NO/c1-2-5-6(8-5)4-7-3-1/h5-7H,1-4H2
InChI Key:
LCHHJCTWXDVLBL-UHFFFAOYSA-N
SMILES:
C1CCC2C(CN1)O2
Properties
Complexity:
94.5
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:
24.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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