| CAS Number | 2126160-66-3 |
| Catalog Number | AG01E7G3 |
| Chemical Name | 2-(Hydroxymethyl)pyridine-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-(hydroxymethyl)pyridine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H7NO3.ClH/c9-4-6-3-5(7(10)11)1-2-8-6;/h1-3,9H,4H2,(H,10,11);1H |
| InChI Key | ZJOAPVKIWNKYRR-UHFFFAOYSA-N |
| MDL Number | MFCD30751519 |
| Molecular Formula | C7H8ClNO3 |
| Molecular Weight | 189.5963 |
| SMILES | Cl.OCC1=NC=CC(C(O)=O)=C1 |
| Synonyms | 2-(Hydroxymethyl)pyridine-4-carboxylic acid hydrochloride,
2126160-66-3,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.595g/mol |
| Monoisotopic Mass | 189.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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