| CAS Number | 1820620-45-8 |
| Catalog Number | AG00I0LH(AGN-PC-0WR47X) |
| Chemical Name | Methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate |
| IUPAC Name | methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-6-4-8(11)7(5-10(6)2)9(12)13-3/h4-5H,1-3H3 |
| InChI Key | LSAWJSRWNFCMNB-UHFFFAOYSA-N |
| MDL Number | MFCD28385214 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(=O)c1cn(C)c(cc1=O)C |
| Synonyms | 1820620-45-8,
METHYL 1,6-DIMETHYL-4-OXOPYRIDINE-3-CARBOXYLATE,
Methyl 1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylate,
ZINC217048291,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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