4-[(1-Ethyl-2-Methyl-1H-Indol-3-Yl)Carbonyl]Isophthalic Acid
[CAS# 67697-32-9]

Identification

• Name: 4-[(1-Ethyl-2-Methyl-1H-Indol-3-Yl)Carbonyl]Isophthalic Acid
• Synonyms: 4-(1-Ethyl-2-Methyl-Indole-3-Carbonyl)Benzene-1,3-Dicarboxylic Acid; 4-[(1-Ethyl-2-Methyl-3-Indolyl)-Oxomethyl]Benzene-1,3-Dicarboxylic Acid; 4-(1-Ethyl-2-Methyl-Indole-3-Carbonyl)Isophthalic Acid
• Molecular Formula: C₂₀H₁₇NO₅
• Molecular Weight: 351.36
• CAS Registry Number: 67697-32-9
• EINECS: 266-911-2
• SMILES: C1=CC2=C(C=C1)C(=C([N]2CC)C)C(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O
• InChI: 1S/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)13-9-8-12(19(23)24)10-15(13)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)
• InChIKey: RUEPPNNHGBTSCH-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 625.581°C at 760 mmHg (Cal.)
• Flash point: 332.139°C (Cal.)