2-(2-Propyn-1-Yl)-1(2H)-Isoquinolinone
[CAS# 125030-80-0]

Identification

• Name: 2-(2-Propyn-1-Yl)-1(2H)-Isoquinolinone
• Synonyms: 2-(prop-2-yn-1-yl)isoquinolin-1(2H)-one
• Molecular Formula: C₁₂H₉NO
• Molecular Weight: 183.21
• CAS Registry Number: 125030-80-0
• SMILES: O=C1c2ccccc2\C=C/N1CC#C
• InChI: 1S/C12H9NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h1,3-7,9H,8H2
• InChIKey: KOZJGHVVRNSSIZ-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 343.373°C at 760 mmHg (Cal.)
• Flash point: 163.002°C (Cal.)
• Refractive index: 1.607 (Cal.)