heptane-1,6-diol; pyridine-2-carboxylic acid

Systemtic Name: heptane-1,6-diol; pyridine-2-carboxylic acid Openeye Name: heptane-1,6-diol; pyridine-2-carboxylic acid CAS Name: heptane-1,6-diol; 2-pyridinecarboxylic acid IUPAC Name: heptane-1,6-diol; pyridine-2-carboxylic acid Traditional Name: heptane-1,6-diol; picolinic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCO)O.C1=CC=NC(=C1)C(=O)O

Isomeric SMILES

CC(CCCCCO)O.C1=CC=NC(=C1)C(=O)O

InChI

InChI=1S/C7H16O2.C6H5NO2/c1-7(9)5-3-2-4-6-8;8-6(9)5-3-1-2-4-7-5/h7-9H,2-6H2,1H3;1-4H,(H,8,9)