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Home > Other Heterocycles > 206998-79-0
206998-79-0 | 1-Propanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-yl-
CAS No: 206998-79-0 Catalog No: AG002ISQ MDL No:
Product Description
Catalog Number:
AG002ISQ
Chemical Name:
1-Propanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-yl-
CAS Number:
206998-79-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
1-[(1R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
InChI:
InChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9?,10-/m1/s1
InChI Key:
MVXJVRNMGNXROR-RCAUJQPQSA-N
SMILES:
CCC(=O)C1CCC[C@H]2N[C@@H]1CC2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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