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Home > Other Heterocycles > 88018-66-0
88018-66-0 | Bicyclo[6.2.1]undecane-4,5-dione
CAS No: 88018-66-0 Catalog No: AG004GKT MDL No:
Product Description
Catalog Number:
AG004GKT
Chemical Name:
Bicyclo[6.2.1]undecane-4,5-dione
CAS Number:
88018-66-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
bicyclo[6.2.1]undecane-4,5-dione
InChI:
InChI=1S/C11H16O2/c12-10-5-3-8-1-2-9(7-8)4-6-11(10)13/h8-9H,1-7H2
InChI Key:
HFUIHMVCMHAZHY-UHFFFAOYSA-N
SMILES:
O=C1CCC2CCC(CCC1=O)C2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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