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| IUPAC Name: | cyclohexane-1,4-dione |
| Description: | 1,4-Cyclohexanedione (CAS# 637-88-7) is a versatile building block in the synthesis of more complex compounds. This intermediate can be hydrolysed and decarboxylated to afford the desired dione. |
| Molecular Weight: | 112.13 |
| Molecular Formula: | C6H8O2 |
| Canonical SMILES: | C1CC(=O)CCC1=O |
| InChI: | InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2 |
| InChI Key: | DCZFGQYXRKMVFG-UHFFFAOYSA-N |
| Boiling Point: | 112 ℃ (19.5026 mmHg) |
| Melting Point: | 76-80 ℃ |
| Purity: | 95 % |
| Density: | 1.127 g/cm3 |
| Appearance: | Yellow to beige crystalline powder |
| Storage: | Refrigerator (+4 ℃) |
| MDL: | MFCD00001606 |
| LogP: | 0.69860 |
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