3H-Indol-3-ylacetic acid
[CAS# 81326-17-2]

Identification

• Name: 3H-Indol-3-ylacetic acid
• Synonyms: 2-(3H-indol-3-yl)acetic acid; 3H-Indole-3-aceticacid
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18
• CAS Registry Number: 81326-17-2
• SMILES: OC(=O)CC2/C=N\c1ccccc12
• InChI: 1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6-7H,5H2,(H,12,13)
• InChIKey: UHWJKAXFMGPTNB-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 376.456°C at 760 mmHg (Cal.)
• Flash point: 181.475°C (Cal.)