| CAS Number | 137347-39-8 |
| Catalog Number | AG00HUXN(AGN-PC-0O1CPD) |
| Chemical Name | 3-Pyridinecarboxylic acid, 6-methoxy-2-methyl-, methyl ester |
| IUPAC Name | methyl 6-methoxy-2-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-6-7(9(11)13-3)4-5-8(10-6)12-2/h4-5H,1-3H3 |
| InChI Key | LOCSATDVCLSGPT-UHFFFAOYSA-N |
| MDL Number | MFCD16611640 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COc1ccc(c(n1)C)C(=O)OC |
| Synonyms | Methyl 6-methoxy-2-methylnicotinate,
137347-39-8,
Methyl 6-methoxy-2-methylpyridine-3-carboxylate,
MFCD16611640,
ZINC72224013,
FCH1143428,
AX8330293,
CS-0035796,
3-Pyridinecarboxylic acid, 6-methoxy-2-methyl-, methyl ester,
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| Complexity | 184 |
| 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 | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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