| CAS Number | 69971-38-6 |
| Catalog Number | AG00G1C4(AGN-PC-0WD59L) |
| Chemical Name | Methyl 4,6-dimethylpicolinate |
| IUPAC Name | methyl 4,6-dimethylpyridine-2-carboxylate |
| InChI | InChI=1S/C9H11NO2/c1-6-4-7(2)10-8(5-6)9(11)12-3/h4-5H,1-3H3 |
| InChI Key | ZATJRKPUGUEWGE-UHFFFAOYSA-N |
| MDL Number | MFCD11975088 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | COC(C1=NC(C)=CC(C)=C1)=O |
| Synonyms | Methyl 4,6-dimethylpicolinate,
69971-38-6,
SCHEMBL3661300,
ZATJRKPUGUEWGE-UHFFFAOYSA-N,
ZINC98178396,
AKOS022188162,
methyl 4,6-dimethyl-2-pyridinecarboxylate,
methyl 4,6-dimethylpyridine-2-carboxylate,
AJ-139502,
2-Pyridinecarboxylic acid, 4,6-dimethyl-, methyl ester,
4alpha,6-Dimethylpyridine-2-carboxylic acid methyl ester,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number