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Home Other Building Blocks BICYCLO[3.3.1]NONAN-9-ONE

BICYCLO[3.3.1]NONAN-9-ONE

CAS No.:
17931-55-4
Catalog Number:
AG0026WW
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
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Product Description
Catalog Number:
AG0026WW
Chemical Name:
BICYCLO[3.3.1]NONAN-9-ONE
CAS Number:
17931-55-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD00074752
IUPAC Name:
bicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChI Key:
SKTMMSQPXGWCAP-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1CCC2
EC Number:
241-868-2
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Thermal decomposition of O-benzyl ketoximes; role of reverse radical disproportionation. Organic & biomolecular chemistry 20040207
Kappa-receptor selective binding of opioid ligands with a heterocyclic bicyclo[3.3.1]nonan-9-one structure. Acta biologica Hungarica 20030101
Properties