| CAS Number | 15832-17-4 |
| Catalog Number | AG003ARI(AGN-PC-0WQUBU) |
| Chemical Name | 5-Hydroxy-6-methyl-3,4-pyridinedicarboxaldehyde hydrochloride |
| IUPAC Name | 5-hydroxy-6-methylpyridine-3,4-dicarbaldehyde;hydrochloride |
| InChI | InChI=1S/C8H7NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2-4,12H,1H3;1H |
| InChI Key | YEOHZVYRGCZVEC-UHFFFAOYSA-N |
| MDL Number | MFCD32206369 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | Cl.OC=1C(=C(C=NC1C)C=O)C=O |
| Synonyms | 5-Hydroxy-6-methyl-3,4-pyridinedicarboxaldehyde hydrochloride,
15832-17-4,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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