2-[6-Methyl-5-(4-Methylbenzoyl)-[1,3]Dioxolo[4,5-f]Indol-7-Yl]Acetic Acid
[CAS# 37585-59-4]

Identification

• Name: 2-[6-Methyl-5-(4-Methylbenzoyl)-[1,3]Dioxolo[4,5-f]Indol-7-Yl]Acetic Acid
• Synonyms: 2-[6-Methyl-5-[(4-Methylphenyl)-Oxomethyl]-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[6-Methyl-5-(4-Methylphenyl)Carbonyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Ethanoic Acid; 5H-1,3-Dioxolo(4,5-F)Indole-7-Acetic Acid, 6-Methyl-5-(P-Toluoyl)-
• Molecular Formula: C₂₀H₁₇NO₅
• Molecular Weight: 351.36
• CAS Registry Number: 37585-59-4
• SMILES: C1=C4C(=CC2=C1[N](C(=C2CC(O)=O)C)C(C3=CC=C(C=C3)C)=O)OCO4
• InChI: 1S/C20H17NO5/c1-11-3-5-13(6-4-11)20(24)21-12(2)14(8-19(22)23)15-7-17-18(9-16(15)21)26-10-25-17/h3-7,9H,8,10H2,1-2H3,(H,22,23)
• InChIKey: LBJXJCKHTNSLIN-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 506.692°C at 760 mmHg (Cal.)
• Flash point: 260.238°C (Cal.)