3-(3H-Imidazol-4-Ylmethyl)-2-Methylbenzoic Acid
[CAS# 115664-39-6]

Identification

• Name: 3-(3H-Imidazol-4-Ylmethyl)-2-Methylbenzoic Acid
• Synonyms: 3-(3H-Imidazol-4-Ylmethyl)-2-Methyl-Benzoic Acid; 3-(1H-Imidazol-4-Ylmethyl)-2-Methylbenzoic Acid; Benzoic Acid, 3-(1H-Imidazol-4-Ylmethyl)-2-Methyl-
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24
• CAS Registry Number: 115664-39-6
• SMILES: C1=CC=C(C(=C1CC2=CN=C[NH]2)C)C(O)=O
• InChI: 1S/C12H12N2O2/c1-8-9(5-10-6-13-7-14-10)3-2-4-11(8)12(15)16/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16)
• InChIKey: UYLYCKVCJPJDEL-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 499.578°C at 760 mmHg (Cal.)
• Flash point: 255.936°C (Cal.)