| CAS Number | 150596-31-9 |
| Catalog Number | AG01C2IC(AGN-PC-0A4O80) |
| Chemical Name | tert-butyl 2-cyano-2-ethylbutanoate |
| IUPAC Name | tert-butyl 2-cyano-2-ethylbutanoate |
| InChI | InChI=1S/C11H19NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-7H2,1-5H3 |
| InChI Key | QNSHPSZSSMNGJH-UHFFFAOYSA-N |
| MDL Number | MFCD29762722 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.2741 |
| SMILES | CCC(C(OC(C)(C)C)=O)(C#N)CC |
| Synonyms | tert-butyl 2-cyano-2-ethylbutanoate,
150596-31-9,
SCHEMBL8489394,
QNSHPSZSSMNGJH-UHFFFAOYSA-N,
ZINC200694456,
2-cyano-2-ethylbutyric acid tert-butyl ester,
EN300-251707,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.278g/mol |
| Monoisotopic Mass | 197.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number