2-(1H-Indol-3-Ylmethyl)Benzoic Acid
[CAS# 1221-99-4]

Identification

• Name: 2-(1H-Indol-3-Ylmethyl)Benzoic Acid
• Synonyms: Nsc47421
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.28
• CAS Registry Number: 1221-99-4
• SMILES: C1=CC=CC2=C1[NH]C=C2CC3=C(C(O)=O)C=CC=C3
• InChI: 1S/C16H13NO2/c18-16(19)14-7-2-1-5-11(14)9-12-10-17-15-8-4-3-6-13(12)15/h1-8,10,17H,9H2,(H,18,19)
• InChIKey: UKOWEQHFZIOAJN-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 485.104°C at 760 mmHg (Cal.)
• Flash point: 247.182°C (Cal.)