3-Cyano-4,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid
[CAS# 26187-37-1]

Identification

• Name: 3-Cyano-4,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid
• Synonyms: 3-cyano-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.16
• CAS Registry Number: 26187-37-1
• SMILES: Cc1c([nH]c(c1C#N)C(=O)O)C
• InChI: 1S/C8H8N2O2/c1-4-5(2)10-7(8(11)12)6(4)3-9/h10H,1-2H3,(H,11,12)
• InChIKey: SEQLHYHCPZYJRX-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 428.366°C at 760 mmHg (Cal.)
• Flash point: 212.868°C (Cal.)
• Refractive index: 1.579 (Cal.)