| CAS Number | 1256787-06-0 |
| Catalog Number | AG009JUK |
| Chemical Name | 3-Pyridinecarboxylic acid, 5-hydroxy-6-methoxy- |
| IUPAC Name | 5-hydroxy-6-methoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO4/c1-12-6-5(9)2-4(3-8-6)7(10)11/h2-3,9H,1H3,(H,10,11) |
| InChI Key | MWQAELRQTBXFER-UHFFFAOYSA-N |
| MDL Number | MFCD18256613 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | COc1ncc(cc1O)C(=O)O |
| Synonyms | 5-HYDROXY-6-METHOXYNICOTINIC ACID,
1256787-06-0,
SCHEMBL7358042,
ZINC95763685,
AKOS024054601,
AB74794,
SC-52514,
5-HYDROXY-6-METHOXYPYRIDINE-3-CARBOXYLIC ACID,
F1957-0254,
5-Hydroxy-6-methoxy-3-pridinecarboxylic acid,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.136g/mol |
| Monoisotopic Mass | 169.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number