1,4-Dihydro-3,5-Diiodo-4-Oxo-1-Pyridineoctanoic Acid
[CAS# 16345-00-9]

Identification

• Name: 1,4-Dihydro-3,5-Diiodo-4-Oxo-1-Pyridineoctanoic Acid
• Synonyms: 8-(3,5-Diiodo-4-Oxo-1-Pyridyl)Octanoic Acid; 8-(3,5-Diiodo-4-Keto-1-Pyridyl)Caprylic Acid; 8-(3,5-Diiodo-4-Oxo-Pyridin-1-Yl)Octanoic Acid
• Molecular Formula: C₁₃H₁₇I₂NO₃
• Molecular Weight: 489.09
• CAS Registry Number: 16345-00-9
• SMILES: C(C(=O)O)CCCCCCN1C=C(C(C(=C1)I)=O)I
• InChI: 1S/C13H17I2NO3/c14-10-8-16(9-11(15)13(10)19)7-5-3-1-2-4-6-12(17)18/h8-9H,1-7H2,(H,17,18)
• InChIKey: PWAYCYFVSQNRFZ-UHFFFAOYSA-N

Properties

• Density: 1.965g/cm³ (Cal.)
• Boiling point: 489.528°C at 760 mmHg (Cal.)
• Flash point: 249.858°C (Cal.)