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Home > Other Heterocycles > 70003-94-0
70003-94-0 | Ethanone, 1-(9-azabicyclo[4.2.1]non-2-yl)-
CAS No: 70003-94-0 Catalog No: AG006535 MDL No:
Product Description
Catalog Number:
AG006535
Chemical Name:
Ethanone, 1-(9-azabicyclo[4.2.1]non-2-yl)-
CAS Number:
70003-94-0
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
1-(9-azabicyclo[4.2.1]nonan-2-yl)ethanone
InChI:
InChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h8-11H,2-6H2,1H3
InChI Key:
MBXOLPUMNTXLOV-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCC2NC1CC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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