| CAS Number | 142063-12-5 |
| Catalog Number | AG01DKWK(AGN-PC-0042XH) |
| Chemical Name | Methyl 5-Hydroxy-2-Methoxynicotinate |
| IUPAC Name | methyl 5-hydroxy-2-methoxypyridine-3-carboxylate |
| InChI | InChI=1S/C8H9NO4/c1-12-7-6(8(11)13-2)3-5(10)4-9-7/h3-4,10H,1-2H3 |
| InChI Key | CJKGUIVWBPDZOZ-UHFFFAOYSA-N |
| MDL Number | MFCD18257217 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | O=C(OC)C1=C(OC)N=CC(O)=C1 |
| Synonyms | METHYL 5-HYDROXY-2-METHOXYNICOTINATE,
142063-12-5,
methyl 5-hydroxy-2-methoxypyridinecarboxylate,
MFCD18257217,
AS-41914,
METHYL 5-HYDROXY-2-METHOXYPYRIDINE-3-CARBOXYLATE,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number