| CAS Number | 943719-62-8 |
| Catalog Number | AG00II3B |
| Chemical Name | 6-Methoxy-4-methylpyridine-3-carboxylic acid |
| IUPAC Name | 6-methoxy-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4H,1-2H3,(H,10,11) |
| InChI Key | VWBCUYWPDAPXRV-UHFFFAOYSA-N |
| MDL Number | MFCD18257493 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | COC1=CC(=C(C=N1)C(=O)O)C |
| Synonyms | 943719-62-8,
6-Methoxy-4-methylnicotinic acid,
6-methoxy-4-methylpyridine-3-carboxylic acid,
SCHEMBL14448315,
ZINC72222972,
C-0147,
3-Pyridinecarboxylic acid, 6-methoxy-4-methyl-,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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