| CAS Number | 1260861-27-5 |
| Catalog Number | AG01BF4I(AGN-PC-0WORFZ) |
| Chemical Name | Ethyl 2-(3-methylpyridin-2-YL)-2-oxoacetate |
| IUPAC Name | ethyl 2-(3-methylpyridin-2-yl)-2-oxoacetate |
| InChI | InChI=1S/C10H11NO3/c1-3-14-10(13)9(12)8-7(2)5-4-6-11-8/h4-6H,3H2,1-2H3 |
| InChI Key | JFURUUYHXFIZFN-UHFFFAOYSA-N |
| MDL Number | MFCD11975565 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CCOC(C(C1=C(C)C=CC=N1)=O)=O |
| Synonyms | ETHYL 2-(3-METHYLPYRIDIN-2-YL)-2-OXOACETATE,
1260861-27-5,
SCHEMBL457581,
AKOS026741726,
ZINC113872124,
SC-33527,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number