| CAS Number | 86129-62-6 |
| Catalog Number | AG01C2LK |
| Chemical Name | Ethyl 4-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate |
| IUPAC Name | ethyl 4-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO3/c1-3-14-9(13)7-6(10)4-5(2)11-8(7)12/h4H,3H2,1-2H3,(H,11,12) |
| InChI Key | LCAOURNJLXCNNF-UHFFFAOYSA-N |
| MDL Number | MFCD24555889 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | ClC1=C(C(NC(=C1)C)=O)C(=O)OCC |
| Synonyms | 86129-62-6,
ethyl 4-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate,
SCHEMBL1062191,
LCAOURNJLXCNNF-UHFFFAOYSA-N,
ZINC115145326,
ethyl 1,2-dihydro-2-oxo-4-chloro-6-methylpyridine-3-carboxylate,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.633g/mol |
| Monoisotopic Mass | 215.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number