Picolinic acid, 5-ethynyl- (8CI)

• CAS: 17880-57-8
• Catalog Number: ACM17880578
• Category: Pyridines
• Molecular Weight: 147.13
• Molecular Formula: C8H5NO2
• Synonyms: 5-Ethynylpicolinic acid
• IUPAC Name: 5-Ethynylpyridine-2-carboxylic acid
• Canonical SMILES: C#CC1=CN=C(C=C1)C(=O)O
• InChI: InChI=1S/C8H5NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h1,3-5H,(H,10,11)
• InChI Key: ZCSPZVBBZKXFHF-UHFFFAOYSA-N
• Storage: Under inert gas (nitrogen or Argon) at 2-8 °C
• Complexity: 203
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 147.032028402
• Heavy Atom Count: 11
• Monoisotopic Mass: 147.032028402
• Physical State: Solid
• Topological Polar Surface Area: 50.2 Ų