2-[3-carboxy-2-(hydroxymethyl)-4-methyl-phenyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-carboxy-2-(hydroxymethyl)-4-methyl-phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-carboxy-2-(hydroxymethyl)-4-methyl-phenyl]pyridine-3-carboxylic acid CAS Name: 2-[3-carboxy-2-(hydroxymethyl)-4-methylphenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-carboxy-2-(hydroxymethyl)-4-methylphenyl]pyridine-3-carboxylic acid Traditional Name: 2-(3-carboxy-4-methyl-2-methylol-phenyl)nicotinic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=C(C=CC=N2)C(=O)O)CO)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=C(C=CC=N2)C(=O)O)CO)C(=O)O

InChI

InChI=1S/C15H13NO5/c1-8-4-5-9(11(7-17)12(8)15(20)21)13-10(14(18)19)3-2-6-16-13/h2-6,17H,7H2,1H3,(H,18,19)(H,20,21)