1-Methyl-5-(4-Carboxybenzoyl)-1H-Pyrrole-2-Acetic Acid
[CAS# 53421-39-9]

Identification

• Name: 1-Methyl-5-(4-Carboxybenzoyl)-1H-Pyrrole-2-Acetic Acid
• Synonyms: 4-[5-(Carboxymethyl)-1-Methyl-Pyrrole-2-Carbonyl]Benzoic Acid; 4-[[5-(Carboxymethyl)-1-Methyl-2-Pyrrolyl]-Oxomethyl]Benzoic Acid; 4-[5-(Carboxymethyl)-1-Methyl-Pyrrol-2-Yl]Carbonylbenzoic Acid
• Molecular Formula: C₁₅H₁₃NO₅
• Molecular Weight: 287.27
• CAS Registry Number: 53421-39-9
• SMILES: C1=C([N](C(=C1)C(C2=CC=C(C=C2)C(=O)O)=O)C)CC(=O)O
• InChI: 1S/C15H13NO5/c1-16-11(8-13(17)18)6-7-12(16)14(19)9-2-4-10(5-3-9)15(20)21/h2-7H,8H2,1H3,(H,17,18)(H,20,21)
• InChIKey: JARNTMCBHAXPKM-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 571.278°C at 760 mmHg (Cal.)
• Flash point: 299.298°C (Cal.)