[4-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)phenyl]acetic acid
[CAS# 886363-15-1]

Identification

• Name: [4-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)phenyl]acetic acid
• Synonyms: 1H-PYRROLE-1-CARBOXYLIC ACID, 2-[4-(CARBOXYMETHYL)PHENYL]-, 1-(1,1-DIMETHYLETHYL) ESTER; 2-(4-Carboxymethyl-phenyl)-pyrrole-1-carboxylic acid tert-butyl ester; 4-(2'-N-Boc-pyrrole)phenylacetic acid
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 886363-15-1
• SMILES: CC(C)(C)OC(=O)n2cccc2c1ccc(CC(O)=O)cc1
• InChI: 1S/C17H19NO4/c1-17(2,3)22-16(21)18-10-4-5-14(18)13-8-6-12(7-9-13)11-15(19)20/h4-10H,11H2,1-3H3,(H,19,20)
• InChIKey: SIUXCADYKNSBAS-UHFFFAOYSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 470.195°C at 760 mmHg (Cal.)
• Flash point: 238.166°C (Cal.)
• Refractive index: 1.553 (Cal.)