| CAS Number | 57032-01-6 |
| Catalog Number | AG01B9GI(AGN-PC-0NJUQ0) |
| Chemical Name | 1-(BICYCLO[2.2.2]OCTAN-1-YL)ETHAN-1-ONE |
| IUPAC Name | 1-(1-bicyclo[2.2.2]octanyl)ethanone |
| InChI | InChI=1S/C10H16O/c1-8(11)10-5-2-9(3-6-10)4-7-10/h9H,2-7H2,1H3 |
| InChI Key | SIKYESMDPLYQRH-UHFFFAOYSA-N |
| MDL Number | MFCD24689318 |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.2334 |
| SMILES | CC(C12CCC(CC1)CC2)=O |
| Synonyms | 1-{bicyclo[2.2.2]octan-1-yl}ethan-1-one,
57032-01-6,
SCHEMBL20721222,
ZINC39263859,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.237g/mol |
| Monoisotopic Mass | 152.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number