2-(4-{3-[5-Hydroxy-1-(4-Methylbenzyl)-1H-1,2,4-Triazol-3-Yl]Propyl}Phenoxy)-2-Methylpropanoic Acid
[CAS# 425671-29-0]

Identification

• Name: 2-(4-{3-[5-Hydroxy-1-(4-Methylbenzyl)-1H-1,2,4-Triazol-3-Yl]Propyl}Phenoxy)-2-Methylpropanoic Acid
• Synonyms: 2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-propyl}-phenoxy)-propionic acid; 2-Methyl-2-[4-[3-[1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]propyl]phenoxy]propionic acid
• Molecular Formula: C₂₃H₂₇N₃O₄
• Molecular Weight: 409.48
• CAS Registry Number: 425671-29-0
• SMILES: CC1=CC=C(C=C1)CN2C(=NC(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O)O
• InChI: 1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)
• InChIKey: PNHFDVSKDSLUFH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 663.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 355.0±34.3°C (Cal.)
• Refractive index: 1.594 (Cal.)