4-Acetylisochromen-1-One
[CAS# 16385-16-3]

Identification

• Name: 4-Acetylisochromen-1-One
• Synonyms: 4-Acetyl-1-Isochromenone; 4-Ethanoylisochromen-1-One; 4-Acetyl-1H-Isochromen-1-One
• Molecular Formula: C₁₁H₈O₃
• Molecular Weight: 188.18
• CAS Registry Number: 16385-16-3
• SMILES: C1=C2C(=CC=C1)C(OC=C2C(=O)C)=O
• InChI: 1S/C11H8O3/c1-7(12)10-6-14-11(13)9-5-3-2-4-8(9)10/h2-6H,1H3
• InChIKey: CDKQBDUTSTYSQN-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 359.576°C at 760 mmHg (Cal.)
• Flash point: 162.833°C (Cal.)