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Catalog Number | ACM6138416 |
CAS Number | 6138-41-6 |
Structure | ![]() |
Synonyms | 3-Carboxy-1-methylpyridinium chloride |
IUPAC Name | 1-Methylpyridin-1-ium-3-carboxylic acid;chloride |
Molecular Weight | 173.6 |
Molecular Formula | C7H8ClNO2 |
Canonical SMILES | C[N+]1=CC=CC(=C1)C(=O)O.[Cl-] |
InChI | InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H |
InChI Key | TZSYLWAXZMNUJB-UHFFFAOYSA-N |
Melting Point | 260 °C |
Purity | 95%+ |
Storage | Inert atmosphere, room temperature |
Complexity | 136 |
Covalently-Bonded Unit Count | 2 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 173.0243562 |
Heavy Atom Count | 11 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 1 |
Monoisotopic Mass | 173.0243562 |
PhysicalState | Solid |
Rotatable Bond Count | 1 |
Topological Polar Surface Area | 41.2 Ų |
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