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Acetoxyacetone
| Catalog Number | ACM592201-1 |
| CAS | 592-20-1 |
| Structure |  |
| IUPAC Name | 2-Oxopropyl acetate |
| Synonyms | Acetonyl acetate |
| Molecular Weight | 116.11 |
| Molecular Formula | C5H8O3 |
| Canonical SMILES | CC(=O)COC(=O)C |
| InChI | InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3 |
| InChI Key | DBERHVIZRVGDFO-UHFFFAOYSA-N |
| Boiling Point | 174-176 °C |
| Melting Point | 74.0-75.5 °C |
| Flash Point | 71 °C |
| Purity | 95%+ |
| Density | 1.075 g/mL at 20 °C(lit.) |
| Solubility | Soluble in diethyl ether, ethyl acetate and dichloromethane |
| Complexity | 106 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 209-746-3 |
| Exact Mass | 116.047344113 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 116.047344113 |
| NSC Number | 7614;2298 |
| Odor | Nutty odor |
| Refractive Index | n20/D 1.415(lit.) |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4 Ų |
| UNII | CM71768T6Q |
| X Log P3 | -0.1 |
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