Indol-3-Ylacetylinositol
[CAS# 23784-11-4]

Identification

• Name: Indol-3-Ylacetylinositol
• Synonyms: 2-(1H-Indol-3-Yl)Acetic Acid (2,3,4,5,6-Pentahydroxycyclohexyl) Ester; (2,3,4,5,6-Pentahydroxycyclohexyl) 2-(1H-Indol-3-Yl)Ethanoate; Iaa-Inositol
• Molecular Formula: C₁₆H₁₉NO₇
• Molecular Weight: 337.33
• CAS Registry Number: 23784-11-4
• SMILES: C2=C(CC(OC1C(O)C(O)C(O)C(O)C1O)=O)C3=C([NH]2)C=CC=C3
• InChI: 1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2
• InChIKey: XUACNUJFOIKYPQ-UHFFFAOYSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 533.536°C at 760 mmHg (Cal.)
• Flash point: 276.473°C (Cal.)