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Cyclopropyl methyl ketone
Catalog NumberACM765435
CAS Number765-43-5
CategoryKetone-functionalized Pheromone
| Description | Cyclopropyl Methyl Ketone is a chemical reagents used in the synthesis of PDE4 inhibitors. Also used in the synthesis of α-trifluoromethyl-amines. |
| Synonyms | Ethanone, 1-cyclopropyl-;cyclopropyl m-nitrophenyl ketone;cyclopropyl meta-nitrophenyl ketone;acetylcyclopropane;Cyclopropyl methylketone |
| IUPAC Name | 1-cyclopropylethanone |
| Molecular Weight | 84.12g/mol |
| Molecular Formula | C5H8O |
| Canonical SMILES | CC(=O)C1CC1 |
| InChI | InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3 |
| InChI Key | HVCFCNAITDHQFX-UHFFFAOYSA-N |
| Boiling Point | 111.3 °C |
| Melting Point | <-70ºC |
| Flash Point | 21ºC |
| Density | 0.903 |
| Appearance | Clear colorless to very slightly yellow liquid |
| Complexity | 72 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 212-146-4 |
| Exact Mass | 84.057514874g/mol |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Log P | 0.98540 |
| MDL Number | MFCD00001297 |
| Monoisotopic Mass | 84.057514874g/mol |
| NSC Number | 1940 |
| PSA | 17.7 |
| Refractive Index | 1.422-1.426 |
| Rotatable Bond Count | 1 |
| Stability | Stable under normal temperatures and pressures. |
| Topological Polar Surface Area | 17.1Ų |
| UNII | N27YY1XCFH |
| WGK Germany | 3 |
| X Log P3 | 0.5 |
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