4-(4-Cyanophenyl)-2-cyclopropyl-5-methyl-1H-pyrrole-3-carboxylic acid
[CAS# 894074-70-5]

Identification

• Name: 4-(4-Cyanophenyl)-2-cyclopropyl-5-methyl-1H-pyrrole-3-carboxylic acid
• Synonyms: 1H-PYRROLE-3-CARBOXYLICACID, 4-(4-CYANOPHENYL)-2-CYCLOPROPYL-5-METHYL-
• Molecular Formula: C₁₆H₁₄N₂O₂
• Molecular Weight: 266.29
• CAS Registry Number: 894074-70-5
• SMILES: Cc1c(c(c([nH]1)C2CC2)C(=O)O)c3ccc(cc3)C#N
• InChI: 1S/C16H14N2O2/c1-9-13(11-4-2-10(8-17)3-5-11)14(16(19)20)15(18-9)12-6-7-12/h2-5,12,18H,6-7H2,1H3,(H,19,20)
• InChIKey: RNJUZRHJURALFR-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 456.494°C at 760 mmHg (Cal.)
• Flash point: 229.88°C (Cal.)
• Refractive index: 1.661 (Cal.)