| CAS Number | 3313-51-7 |
| Catalog Number | AG007HAG(AGN-PC-0NI3MI) |
| Chemical Name | Pyridinium, 2-(hydroxymethyl)-1-methyl-, iodide |
| IUPAC Name | (1-methylpyridin-1-ium-2-yl)methanol;iodide |
| InChI | InChI=1S/C7H10NO.HI/c1-8-5-3-2-4-7(8)6-9;/h2-5,9H,6H2,1H3;1H/q+1;/p-1 |
| InChI Key | RURDJUFVNLDFOM-UHFFFAOYSA-M |
| MDL Number | MFCD05742378 |
| Molecular Formula | C7H10INO |
| Molecular Weight | 251.0649 |
| SMILES | [I-].OCC=1C=CC=C[N+]1C |
| Synonyms | Pyridinium, 2-(hydroxymethyl)-1-methyl-, iodide,
3313-51-7,
SCHEMBL7522150,
CTK1B1928,
DTXSID60480682,
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| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.067g/mol |
| Monoisotopic Mass | 250.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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