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Home > Other Heterocycles > 57346-05-1
57346-05-1 | Bicyclo[2.2.2]octane-2,5-dione
CAS No: 57346-05-1 Catalog No: AG0034IR MDL No:MFCD24504367
Product Description
Catalog Number:
AG0034IR
Chemical Name:
Bicyclo[2.2.2]octane-2,5-dione
CAS Number:
57346-05-1
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD24504367
IUPAC Name:
bicyclo[2.2.2]octane-2,5-dione
InChI:
InChI=1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2
InChI Key:
WMJKUNDVKHUCMV-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC1CC2=O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| A practical chemo-enzymatic synthesis of homochiral bicyclo[2.2.2]octane-2,5-dione. | The Journal of organic chemistry 20100319 |
| Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example. | International journal of molecular sciences 20100101 |
| Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds. | Journal of computational chemistry 20061115 |
| Efficient bioreduction of bicyclo[2.2.2]octane-2,5-dione and bicyclo[2.2.2]oct-7-ene-2,5-dione by genetically engineered Saccharomyces cerevisiae. | Organic & biomolecular chemistry 20060607 |
| Preparation of C2-symmetric bicyclo[2.2.2]octa-2,5-diene ligands and their use for rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids. | The Journal of organic chemistry 20050401 |
| Autocatalytic domino Michael reaction leading to bicyclo[2.2.2]octane-2,5-dione derivatives. | Organic letters 20040401 |
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