4-[4-(2-Carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
[CAS# 80037-86-1]

Identification

• Name: 4-[4-(2-Carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
• Synonyms: 4-[4-(2-Carboxyethyl)-2-Methyl-1H-Pyrrol-3-Yl]-4-Oxo-Butanoic Acid; 4-[4-(2-Carboxyethyl)-2-Methyl-1H-Pyrrol-3-Yl]-4-Keto-Butyric Acid; 1H-Pyrrole-3-Butanoic Acid, 4-(2-Carboxyethyl)-2-Methyl-Gamma-Oxo-
• Molecular Formula: C₁₂H₁₅NO₅
• Molecular Weight: 253.25
• CAS Registry Number: 80037-86-1
• SMILES: C1=C(C(=C([NH]1)C)C(CCC(=O)O)=O)CCC(=O)O
• InChI: 1S/C12H15NO5/c1-7-12(9(14)3-5-11(17)18)8(6-13-7)2-4-10(15)16/h6,13H,2-5H2,1H3,(H,15,16)(H,17,18)
• InChIKey: NRCLTECUGCYICQ-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 549.49°C at 760 mmHg (Cal.)
• Flash point: 286.121°C (Cal.)