3-[(E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoyl]-2-Hydroxycyclohepta-2,4,6-Trien-1-One
[CAS# 77633-05-7]

Identification

• Name: 3-[(E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoyl]-2-Hydroxycyclohepta-2,4,6-Trien-1-One
• Synonyms: 3-[3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoyl]-2-Hydroxycyclohepta-2,4,6-Trien-1-One; 3-[(E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoyl]-2-Hydroxy-Cyclohepta-2,4,6-Trien-1-One; 3-[3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoyl]-2-Hydroxy-Cyclohepta-2,4,6-Trien-1-One
• Molecular Formula: C₁₇H₁₂O₅
• Molecular Weight: 296.28
• CAS Registry Number: 77633-05-7
• SMILES: C2=C(/C=C/C(=O)C1=C(O)C(=O)C=CC=C1)C=CC3=C2OCO3
• InChI: 1S/C17H12O5/c18-13(12-3-1-2-4-14(19)17(12)20)7-5-11-6-8-15-16(9-11)22-10-21-15/h1-9H,10H2,(H,19,20)/b7-5+
• InChIKey: JEZLGHUPGPOHDO-FNORWQNLSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 490.183°C at 760 mmHg (Cal.)
• Flash point: 183.927°C (Cal.)