2-(1H-Pyrrol-3-ylcarbonyl)butanoic acid
[CAS# 887411-89-4]

Identification

• Name: 2-(1H-Pyrrol-3-ylcarbonyl)butanoic acid
• Synonyms: 1H-Pyrrole-3-propanoic acid, α-ethyl-β-oxo-; 2-(1H-Pyrrol-3-ylcarbonyl)butanoic acid; 2-(1H-Pyrrol-3-ylcarbonyl)butansäure
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.19
• CAS Registry Number: 887411-89-4
• SMILES: CCC(C(=O)c1cc[nH]c1)C(=O)O
• InChI: 1S/C9H11NO3/c1-2-7(9(12)13)8(11)6-3-4-10-5-6/h3-5,7,10H,2H2,1H3,(H,12,13)
• InChIKey: ZKAAMMPVIWDNON-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 413.4±25.0°C at 760 mmHg (Cal.)
• Flash point: 203.8±23.2°C (Cal.)
• Refractive index: 1.555 (Cal.)