5-Butyryl-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
[CAS# 50332-10-0]

Identification

• Name: 5-Butyryl-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
• Synonyms: 2-[6-Methyl-5-(1-Oxobutyl)-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-(5-Butyryl-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl)Acetic Acid; 2-(5-Butanoyl-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl)Ethanoic Acid
• Molecular Formula: C₁₆H₁₇NO₅
• Molecular Weight: 303.31
• CAS Registry Number: 50332-10-0
• SMILES: C1=C3C(=CC2=C1C(=C([N]2C(CCC)=O)C)CC(=O)O)OCO3
• InChI: 1S/C16H17NO5/c1-3-4-15(18)17-9(2)10(6-16(19)20)11-5-13-14(7-12(11)17)22-8-21-13/h5,7H,3-4,6,8H2,1-2H3,(H,19,20)
• InChIKey: RISYNXLXYMWDHS-UHFFFAOYSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 491.481°C at 760 mmHg (Cal.)
• Flash point: 251.039°C (Cal.)