5-Phenyl-1H-Pyrrole-2-Acetic Acid
[CAS# 5449-90-1]

Identification

• Name: 5-Phenyl-1H-Pyrrole-2-Acetic Acid
• Synonyms: 2-(5-Phenyl-1H-Pyrrol-2-Yl)Ethanoic Acid; Nsc16451; 4-22-00-01227 (Beilstein Handbook Reference)
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.22
• CAS Registry Number: 5449-90-1
• SMILES: C1=C([NH]C(=C1)CC(=O)O)C2=CC=CC=C2
• InChI: 1S/C12H11NO2/c14-12(15)8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7,13H,8H2,(H,14,15)
• InChIKey: XQJSJRJYORMNQE-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 421.352°C at 760 mmHg (Cal.)
• Flash point: 208.626°C (Cal.)