2-(1,2-Dimethyl-5-Phenyl-Pyrrol-3-Yl)Acetic Acid
[CAS# 42780-41-6]

Identification

• Name: 2-(1,2-Dimethyl-5-Phenyl-Pyrrol-3-Yl)Acetic Acid
• Synonyms: 2-(1,2-Dimethyl-5-Phenyl-Pyrrol-3-Yl)Acetic Acid; 2-(1,2-Dimethyl-5-Phenyl-3-Pyrrolyl)Acetic Acid; 2-(1,2-Dimethyl-5-Phenyl-Pyrrol-3-Yl)Ethanoic Acid
• Molecular Formula: C₁₄H₁₅NO₂
• Molecular Weight: 229.28
• CAS Registry Number: 42780-41-6
• SMILES: C1=C([N](C(=C1CC(=O)O)C)C)C2=CC=CC=C2
• InChI: 1S/C14H15NO2/c1-10-12(9-14(16)17)8-13(15(10)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,17)
• InChIKey: YWPRKCLPTAUMNB-UHFFFAOYSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 393.592°C at 760 mmHg (Cal.)
• Flash point: 191.838°C (Cal.)