Octan-2-yl cyanoacetate
octan-2-yl 2-cyanoacetate
Also Known As: octan-2-yl 2-cyanoacetate|2-Octyl cyanoacetate|Cyanoacetic acid 1-methylheptyl ester|Octan-2-yl cyanoacetate|sec-Octyl cyanoacetate|1-Methylheptyl cyanoacetate|2-Octyl 2-Cyanoacetate|octan-2-yl2-cyanoacetate|2-OCTYLCYANOACETATE|1-methylheptyl 2-cyanoacetate|Acetic acid, cyano-, 1-methylheptyl ester|KS-00000JGF|Cyanoaceticacid1-methylheptylester|Acetic acid, 2-cyano-,1-methylheptyl ester|EC 610-886-6|J3.791.324C|688O081|I14-7001|610-886-6
| Molecular Formula | C11H19NO2 |
|---|---|
| Molecular Weight | 197.14159 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 197.14159 |
| Monoisotopic Mass | 197.14159 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 52688-08-1 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CC#N |
| InChIKey | UHQCFCZBVFECRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octan-2-yl cyanoacetate (CAS 52688-08-1), with molecular formula C11H19NO2 and molecular weight 197.14159 g/mol. IUPAC: octan-2-yl 2-cyanoacetate.
Octan-2-yl cyanoacetate is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »