2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid
[CAS# 669713-99-9]

Identification

• Name: 2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid
• Synonyms: 2-(1-boc-pyrrole)benzoic acid; 2-(2-Carboxy-phenyl)-pyrrole-1-carboxylic acid tert-butyl ester; 2-(2'-N-Boc-Pyrrole)benzoic acid
• Molecular Formula: C₁₆H₁₇NO₄
• Molecular Weight: 287.31
• CAS Registry Number: 669713-99-9
• SMILES: O=C(O)c2ccccc2c1cccn1C(=O)OC(C)(C)C
• InChI: 1S/C16H17NO4/c1-16(2,3)21-15(20)17-10-6-9-13(17)11-7-4-5-8-12(11)14(18)19/h4-10H,1-3H3,(H,18,19)
• InChIKey: IOMWQMNUUOAVMG-UHFFFAOYSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 431.208°C at 760 mmHg (Cal.)
• Flash point: 214.587°C (Cal.)
• Refractive index: 1.558 (Cal.)