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Home > Other Heterocycles > 280761-97-9
280761-97-9 | 9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one
CAS No: 280761-97-9 Catalog No: AG0034F2 MDL No:MFCD17016705
Product Description
Catalog Number:
AG0034F2
Chemical Name:
9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one
CAS Number:
280761-97-9
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD17016705
IUPAC Name:
tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-4-10(14)5-9(13)7-16-6-8/h8-9H,4-7H2,1-3H3
InChI Key:
CQLVVTNYEYTHMM-UHFFFAOYSA-N
SMILES:
O=C1CC2COCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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