3-Indol-1-Ylbutanoic Acid
[CAS# 2457-72-9]

Identification

• Name: 3-Indol-1-Ylbutanoic Acid
• Synonyms: 3-(1-Indolyl)Butanoic Acid; 3-Indol-1-Ylbutyric Acid
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.24
• CAS Registry Number: 2457-72-9
• EINECS: 219-538-4
• SMILES: C1=CC2=C([N]1C(CC(=O)O)C)C=CC=C2
• InChI: 1S/C12H13NO2/c1-9(8-12(14)15)13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8H2,1H3,(H,14,15)
• InChIKey: CRBDMBOXRGTJDX-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 388.307°C at 760 mmHg (Cal.)
• Flash point: 188.642°C (Cal.)