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Home Other Building Blocks Bicyclo[3.3.1]nonane-2,6-dione

Bicyclo[3.3.1]nonane-2,6-dione

CAS No.:
16473-11-3
Catalog Number:
AG001V2N
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
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Product Description
Catalog Number:
AG001V2N
Chemical Name:
Bicyclo[3.3.1]nonane-2,6-dione
CAS Number:
16473-11-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00153926
IUPAC Name:
bicyclo[3.3.1]nonane-2,6-dione
InChI:
InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2
InChI Key:
QWNPVTXLBMSEPN-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1CCC2=O
NSC Number:
92375
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and self-aggregation of enantiopure and racemic molecular tweezers based on the bicyclo[3.3.1]nonane framework. Chemistry (Weinheim an der Bergstrasse, Germany) 20100406
2,3,10,11-Tetra-meth-oxy-6,7,14,15-tetra-hydro-6,14-methano-cyclo-octa-[1,2-b;5,6-b']diquinoline. Acta crystallographica. Section E, Structure reports online 20080101
Determination of the absolute configuration of bicyclo[3.3.1]nonane-2,7-dione by circular dichroism spectroscopy and chemical correlation. Chirality 20010101
Properties