Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
Also Known As: dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate|2-methyl-cyclohexanone thiosemicarbazone|dimethyl-4-cyano-4-(4-fluorophenyl)pimelate|Heptanedioic acid, 4-cyano-4-(4-fluorophenyl)-, dimethyl ester|1,7-dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
CAS: 56326-92-2
| Molecular Formula | C16H18FNO4 |
|---|---|
| Molecular Weight | 307.12198 g/mol |
| LogP | 2.49348 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.12198 |
| Monoisotopic Mass | 307.12198 |
| Heavy Atoms | 22 |
| Complexity | 542.50366 |
Chemical Identifiers
| CAS Number | 56326-92-2 |
|---|---|
| SMILES | COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=C(C=C1)F |
Product Overview
Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate (CAS 56326-92-2), with molecular formula C16H18FNO4 and molecular weight 307.12198 g/mol. IUPAC: dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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