(1,8-Diethyl-4-Oxo-1,3,4,9-Tetrahydropyrano[3,4-b]Indol-1-Yl)Acetic Acid
[CAS# 111478-86-5]

Identification

• Name: (1,8-Diethyl-4-Oxo-1,3,4,9-Tetrahydropyrano[3,4-b]Indol-1-Yl)Acetic Acid
• Synonyms: (1,8-Diethyl-4-oxo-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid; 4-Oxo Etodolac
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 111478-86-5
• SMILES: CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3=O)(CC)CC(=O)O
• InChI: 1S/C17H19NO4/c1-3-10-6-5-7-11-14-12(19)9-22-17(4-2,8-13(20)21)16(14)18-15(10)11/h5-7,18H,3-4,8-9H2,1-2H3,(H,20,21)
• InChIKey: HNWLARFJUBQIQT-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 573.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 300.9±30.1°C (Cal.)
• Refractive index: 1.609 (Cal.)