4-(4-Cyanophenyl)-5-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
[CAS# 894074-71-6]

Identification

• Name: 4-(4-Cyanophenyl)-5-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
• Synonyms: 1H-PYRROLE-3-CARBOXYLICACID, 4-(4-CYANOPHENYL)-5-ETHYL-2-METHYL-
• Molecular Formula: C₁₅H₁₄N₂O₂
• Molecular Weight: 254.28
• CAS Registry Number: 894074-71-6
• SMILES: CCc1c(c(c([nH]1)C)C(=O)O)c2ccc(cc2)C#N
• InChI: 1S/C15H14N2O2/c1-3-12-14(13(15(18)19)9(2)17-12)11-6-4-10(8-16)5-7-11/h4-7,17H,3H2,1-2H3,(H,18,19)
• InChIKey: DROCZWURXKYKPR-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 461.259°C at 760 mmHg (Cal.)
• Flash point: 232.761°C (Cal.)
• Refractive index: 1.624 (Cal.)