7-Chloro-3',4,6-Trimethoxy-5'-Methylspiro[1-Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione
[CAS# 78739-00-1]

Identification

• Name: 7-Chloro-3',4,6-Trimethoxy-5'-Methylspiro[1-Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione
• Synonyms: 7-Chloro-3',4,6-Trimethoxy-5'-Methyl-Spiro[Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione; 7-Chloro-3',4,6-Trimethoxy-5'-Methylspiro[Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione; 7-Chloro-3',4,6-Trimethoxy-5'-Methyl-Spiro[Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Quinone
• Molecular Formula: C₁₇H₁₇ClO₆
• Molecular Weight: 352.77
• CAS Registry Number: 78739-00-1
• SMILES: C3=C(C1=C(OC2(C1=O)C(=CC(=O)CC2C)OC)C(=C3OC)Cl)OC
• InChI: 1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3
• InChIKey: DDUHZTYCFQRHIY-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 570.366°C at 760 mmHg (Cal.)
• Flash point: 228.003°C (Cal.)

References

• (1): Mehran Yazdanian, Susan L. Glynn, James L. Wright and Amale Hawi. Correlating Partitioning and Caco-2 Cell Permeability of Structurally Diverse Small Molecular Weight Compounds, Pharm. Res. 1998, 15(9), 1490-1494