4-(4-Cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid
[CAS# 894074-69-2]

Identification

• Name: 4-(4-Cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid
• Synonyms: 1H-PYRROLE-3-CARBOXYLICACID, 4-(4-CYANOPHENYL)-5-METHYL-2-PROPYL-
• Molecular Formula: C₁₆H₁₆N₂O₂
• Molecular Weight: 268.31
• CAS Registry Number: 894074-69-2
• SMILES: CCCc1c(c(c([nH]1)C)c2ccc(cc2)C#N)C(=O)O
• InChI: 1S/C16H16N2O2/c1-3-4-13-15(16(19)20)14(10(2)18-13)12-7-5-11(9-17)6-8-12/h5-8,18H,3-4H2,1-2H3,(H,19,20)
• InChIKey: NQXYYIRCQXLWNA-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 431.969°C at 760 mmHg (Cal.)
• Flash point: 215.048°C (Cal.)
• Refractive index: 1.613 (Cal.)