5-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylic acid Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)pyridine-3-carboxylic acid CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-3-carboxylic acid Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)nicotinic acid Formula: C11H11NO3 MolecularWeight: 205.20994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3/c1-11(2,15)4-3-8-5-9(10(13)14)7-12-6-8/h5-7,15H,1-2H3,(H,13,14)