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Home > Other Heterocycles > 512822-27-4
512822-27-4 | N-Boc-9-Azabicyclo[3.3.1]nonan-3-one
CAS No: 512822-27-4 Catalog No: AG003STM MDL No:MFCD09997838
Product Description
Catalog Number:
AG003STM
Chemical Name:
N-Boc-9-Azabicyclo[3.3.1]nonan-3-one
CAS Number:
512822-27-4
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD09997838
IUPAC Name:
tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3
InChI Key:
YEKYAQUJESJBFI-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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