Diethyl 3,3-dicyanopentanedioate
diethyl 3,3-dicyanopentanedioate
Also Known As: diethyl 3,3-dicyanopentanedioate|Diethyl3,3-dicyanopentanedioate|diethyl 3,3-dicyanoglutarate|Pentanedioic acid, 3,3-dicyano-, 1,5-diethyl ester|3,3-DICYANO-PENTANEDIOIC ACID DIETHYL ESTER
CAS: 77415-69-1
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.09535 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.09535 |
| Monoisotopic Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 77415-69-1 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C#N)C#N |
| InChIKey | ATCRXJYHZSNQFI-UHFFFAOYSA-N |
Product Overview
Diethyl 3,3-dicyanopentanedioate (CAS 77415-69-1), with molecular formula C11H14N2O4 and molecular weight 238.09535 g/mol. IUPAC: diethyl 3,3-dicyanopentanedioate.
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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