1-(5-Hydroxy-2,4-Dimethyl-5-Oxopentanoyl)-2,3-Dihydroindole-2-Carboxylic Acid
[CAS# 82950-75-2]

Identification

• Name: 1-(5-Hydroxy-2,4-Dimethyl-5-Oxopentanoyl)-2,3-Dihydroindole-2-Carboxylic Acid
• Synonyms: 1-(5-Hydroxy-2,4-Dimethyl-5-Oxo-Pentanoyl)Indoline-2-Carboxylic Acid; 1-(5-Hydroxy-2,4-Dimethyl-1,5-Dioxopentyl)-2-Indolinecarboxylic Acid; 1-(5-Hydroxy-5-Keto-2,4-Dimethyl-Pentanoyl)Indoline-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₉NO₅
• Molecular Weight: 305.33
• CAS Registry Number: 82950-75-2
• SMILES: C1=CC=CC2=C1N(C(C2)C(=O)O)C(=O)C(CC(C(=O)O)C)C
• InChI: 1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)
• InChIKey: QYGJWRUSSRDNLQ-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 618.915°C at 760 mmHg (Cal.)
• Flash point: 328.108°C (Cal.)