Bicyclo[2.2.2]octane-2,5-dione - CAS 57346-05-1
Catalog: |
BB029652 |
Product Name: |
Bicyclo[2.2.2]octane-2,5-dione |
CAS: |
57346-05-1 |
Synonyms: |
bicyclo[2.2.2]octane-2,5-dione |
IUPAC Name: | bicyclo[2.2.2]octane-2,5-dione |
Description: | Bicyclo[2.2.2]octane-2,5-dione (CAS# 57346-05-1) is a useful research chemical compound. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | C1CC2CC(=O)C1CC2=O |
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 |
Appearance: | Beige solid |
LogP: | 0.94460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2014136780-A | Composition and polymer | 20130118 |
JP-5965328-B2 | Composition and polymer | 20130118 |
EP-2735581-A1 | Composition and polymer | 20110722 |
JP-2015110799-A | Polymer | 20110722 |
JP-5718466-B2 | Composition and polymer | 20110722 |
PMID | Publication Date | Title | Journal |
20480039 | 20100414 | 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 |
20151711 | 20100319 | A practical chemo-enzymatic synthesis of homochiral bicyclo[2.2.2]octane-2,5-dione | The Journal of organic chemistry |
16903000 | 20061115 | Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds | Journal of computational chemistry |
16729141 | 20060607 | 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 |
15787536 | 20050401 | 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 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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