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Home > Other Heterocycles > 1932507-34-0
1932507-34-0 | exo-8-boc-6-hydroxy-8-azabicyclo[3.2.1]octane
CAS No: 1932507-34-0 Catalog No: AG00IL3N MDL No:
Product Description
Catalog Number:
AG00IL3N
Chemical Name:
exo-8-boc-6-hydroxy-8-azabicyclo[3.2.1]octane
CAS Number:
1932507-34-0
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
tert-butyl (1R,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-5-4-6-9(13)10(14)7-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key:
LJZKCLOQMYZAGC-KXUCPTDWSA-N
SMILES:
O[C@@H]1C[C@@H]2N([C@H]1CCC2)C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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