| CAS Number | 64119-44-4 |
| Catalog Number | AG00J2NC(AGN-PC-0KL47V) |
| Chemical Name | ethyl 5-cyano-6-ethoxy-2-methylnicotinate |
| IUPAC Name | ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C12H14N2O3/c1-4-16-11-9(7-13)6-10(8(3)14-11)12(15)17-5-2/h6H,4-5H2,1-3H3 |
| InChI Key | FRHQVOSRFVIPJL-UHFFFAOYSA-N |
| MDL Number | MFCD05665984 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | C1(C(OCC)=O)=C(C)N=C(C(C#N)=C1)OCC |
| Synonyms | ethyl 5-cyano-6-ethoxy-2-methylnicotinate,
64119-44-4,
AC1MDB8Y,
ZINC2551317,
ZX-CM010201,
MFCD05665984,
AKOS027426895,
Y-1774,
ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate,
CID2786770,
Ethyl 5-cyano-6-ethoxy-2-methyl-pyridine-3-carboxylate,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number