5-hex-1-ynylpyridine-3-carboxylic acid

Systemtic Name: 5-hex-1-ynylpyridine-3-carboxylic acid Openeye Name: 5-hex-1-ynylpyridine-3-carboxylic acid CAS Name: 5-hex-1-ynyl-3-pyridinecarboxylic acid IUPAC Name: 5-hex-1-ynylpyridine-3-carboxylic acid Traditional Name: 5-hex-1-ynylnicotinic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-2-3-4-5-6-10-7-11(12(14)15)9-13-8-10/h7-9H,2-4H2,1H3,(H,14,15)