| CAS Number | 124499-36-1 |
| Catalog Number | AG01EJTK |
| Chemical Name | ethyl 2-cyano-2-(oxan-4-yl)acetate |
| IUPAC Name | ethyl 2-cyano-2-(oxan-4-yl)acetate |
| InChI | InChI=1S/C10H15NO3/c1-2-14-10(12)9(7-11)8-3-5-13-6-4-8/h8-9H,2-6H2,1H3 |
| InChI Key | NHADJYWWOAZLAQ-UHFFFAOYSA-N |
| MDL Number | MFCD24160742 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.2310 |
| SMILES | CCOC(C(C1CCOCC1)C#N)=O |
| Synonyms | 124499-36-1,
SCHEMBL9762735,
MFCD24160742,
ethyl 2-cyano-2-(oxan-4-yl)acetate,
Cyano-(tetrahydro-pyran-4-yl)-acetic acid ethyl ester,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.234g/mol |
| Monoisotopic Mass | 197.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number