Name: | 1,4-Cyclohexanedione |
Synonyms: | 1,4-Cyclohexanedione;1,4-Dioxocyclohexane;637-88-7;AI3-22410;EINECS 211-306-0;NSC 7192;TETRAHYDROQUINONE;cyclohexane-1,4-quinone;cyclohexane-1,4-dione |
Molecular Weight: | 112.12652 |
Formula: | C6H8O2 |
CAS: | 637-88-7 |
Isomeric SMILES: | C1CC(=O)CCC1=O |
Canonical SMILES: | C1CC(=O)CCC1=O |
InChI: | InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2 |
Experimental Water Solubility: | |
Predicted Water Solubility: | 6.16E+005 mg/L [MEYLAN,WM ET AL. (1996)] |
Experimental LogP(octanol-water): | |
Predicted LogP(octanol-water): | -0.92 [MEYLAN,WM & HOWARD,PH (1995)] |