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Home > Other Heterocycles > 87625-85-2
87625-85-2 | Bicyclo[5.2.1]decane-2,6-dione
CAS No: 87625-85-2 Catalog No: AG004LQ1 MDL No:
Product Description
Catalog Number:
AG004LQ1
Chemical Name:
Bicyclo[5.2.1]decane-2,6-dione
CAS Number:
87625-85-2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
bicyclo[5.2.1]decane-2,6-dione
InChI:
InChI=1S/C10H14O2/c11-9-2-1-3-10(12)8-5-4-7(9)6-8/h7-8H,1-6H2
InChI Key:
YNAORWONHPHXIG-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C2CC1CC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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