5-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}phenyl)-1H-pyrazole-3-carboxylic acid
[CAS# 852816-01-4]

Identification

• Name: 5-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}phenyl)-1H-pyrazole-3-carboxylic acid
• Molecular Formula: C₁₅H₁₆N₂O₄
• Molecular Weight: 288.30
• CAS Registry Number: 852816-01-4
• SMILES: CC(C)(C)OC(=O)c1ccc(cc1)c2cc(n[nH]2)C(=O)O
• InChI: 1S/C15H16N2O4/c1-15(2,3)21-14(20)10-6-4-9(5-7-10)11-8-12(13(18)19)17-16-11/h4-8H,1-3H3,(H,16,17)(H,18,19)
• InChIKey: XZDKWHJKECRQNG-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 533.71°C at 760 mmHg (Cal.)
• Flash point: 276.578°C (Cal.)
• Refractive index: 1.586 (Cal.)