4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid
[CAS# 775322-43-5]

Identification

• Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid
• Synonyms: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.25
• CAS Registry Number: 775322-43-5
• SMILES: Cc2cnc(C)c2c1ccc(cc1)C(O)=O
• InChI: 1S/C13H13NO2/c1-8-7-14-9(2)12(8)10-3-5-11(6-4-10)13(15)16/h3-7,14H,1-2H3,(H,15,16)
• InChIKey: OENSPHYNLNXMRK-UHFFFAOYSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 387.055°C at 760 mmHg (Cal.)
• Flash point: 187.884°C (Cal.)
• Refractive index: 1.611 (Cal.)