2-[1-(2,4-Dimethylphenyl)-2,5-Dimethyl-Pyrrol-3-Yl]Acetic Acid
[CAS# 42780-40-5]

Identification

• Name: 2-[1-(2,4-Dimethylphenyl)-2,5-Dimethyl-Pyrrol-3-Yl]Acetic Acid
• Synonyms: 2-[1-(2,4-Dimethylphenyl)-2,5-Dimethyl-Pyrrol-3-Yl]Acetic Acid; 2-[1-(2,4-Dimethylphenyl)-2,5-Dimethyl-3-Pyrrolyl]Acetic Acid; 2-[1-(2,4-Dimethylphenyl)-2,5-Dimethyl-Pyrrol-3-Yl]Ethanoic Acid
• Molecular Formula: C₁₆H₁₉NO₂
• Molecular Weight: 257.33
• CAS Registry Number: 42780-40-5
• SMILES: C1=C([N](C(=C1CC(=O)O)C)C2=CC=C(C=C2C)C)C
• InChI: 1S/C16H19NO2/c1-10-5-6-15(11(2)7-10)17-12(3)8-14(13(17)4)9-16(18)19/h5-8H,9H2,1-4H3,(H,18,19)
• InChIKey: BQSNOTOUJRSVMU-UHFFFAOYSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 429.886°C at 760 mmHg (Cal.)
• Flash point: 213.787°C (Cal.)