5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylate

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylate Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxylate CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinate Formula: C8H8NO4- MolecularWeight: 182.15342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C(=O)[O-])CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C(=O)[O-])CO

InChI

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/p-1