5-oct-1-ynylpyridine-3-carboxylic acid

Systemtic Name: 5-oct-1-ynylpyridine-3-carboxylic acid Openeye Name: 5-oct-1-ynylpyridine-3-carboxylic acid CAS Name: 5-oct-1-ynyl-3-pyridinecarboxylic acid IUPAC Name: 5-oct-1-ynylpyridine-3-carboxylic acid Traditional Name: 5-oct-1-ynylnicotinic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C14H17NO2/c1-2-3-4-5-6-7-8-12-9-13(14(16)17)11-15-10-12/h9-11H,2-6H2,1H3,(H,16,17)