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Home > Other Heterocycles > 637301-19-0
637301-19-0 | 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
CAS No: 637301-19-0 Catalog No: AG0033LO MDL No:MFCD21642031
Product Description
Catalog Number:
AG0033LO
Chemical Name:
3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
CAS Number:
637301-19-0
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD21642031
IUPAC Name:
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-9(7-13)10(8)14/h8-9H,4-7H2,1-3H3
InChI Key:
ZORCNALJSKPJDE-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CCC(C1)C2=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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