Einecs 216-915-5
[3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride
Also Known As: EINECS 216-915-5|3,4-Bis(acetoxymethyl)-5-hydroxy-6-methylpyridinium chloride|[3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride
CAS: 1696-70-4
| Molecular Formula | C12H16ClNO5 |
|---|---|
| Molecular Weight | 289.0717 g/mol |
| LogP | -2.6531 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0717 |
| Monoisotopic Mass | 289.0717 |
| Heavy Atoms | 19 |
| Complexity | 475.4327 |
Chemical Identifiers
| CAS Number | 1696-70-4 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=[N+](C=C1)C)O)COC(=O)C.[Cl-] |
Product Overview
Einecs 216-915-5 (CAS 1696-70-4), with molecular formula C12H16ClNO5 and molecular weight 289.0717 g/mol. IUPAC: [3-(acetyloxymethyl)-2-hydroxy-1-methylpyridin-1-ium-4-yl]methyl acetate chloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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