2-[4-(1H-Pyrrole-2-Carbonyl)Phenyl]Propanoic Acid
[CAS# 77614-42-7]

Identification

• Name: 2-[4-(1H-Pyrrole-2-Carbonyl)Phenyl]Propanoic Acid
• Synonyms: 2-[4-[Oxo-(1H-Pyrrol-2-Yl)Methyl]Phenyl]Propanoic Acid; 2-[4-(1H-Pyrrole-2-Carbonyl)Phenyl]Propionic Acid; 2-[4-(1H-Pyrrol-2-Ylcarbonyl)Phenyl]Propanoic Acid
• Molecular Formula: C₁₄H₁₃NO₃
• Molecular Weight: 243.26
• CAS Registry Number: 77614-42-7
• SMILES: C1=CC(=CC=C1C(C(=O)O)C)C(=O)C2=CC=C[NH]2
• InChI: 1S/C14H13NO3/c1-9(14(17)18)10-4-6-11(7-5-10)13(16)12-3-2-8-15-12/h2-9,15H,1H3,(H,17,18)
• InChIKey: LQCCDTHFUZXHBI-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 442.724°C at 760 mmHg (Cal.)
• Flash point: 221.551°C (Cal.)