2-(Dihydroxyboryl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indole-5-carboxylic acid
[CAS# 913388-58-6]

Identification

• Name: 2-(Dihydroxyboryl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indole-5-carboxylic acid
• Synonyms: 1H-Indole-1,5-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1,5-dicarboxylic acid,2-borono-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₄H₁₆BNO₆
• Molecular Weight: 305.09
• CAS Registry Number: 913388-58-6
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)C(=O)O)(O)O
• InChI: 1S/C14H16BNO6/c1-14(2,3)22-13(19)16-10-5-4-8(12(17)18)6-9(10)7-11(16)15(20)21/h4-7,20-21H,1-3H3,(H,17,18)
• InChIKey: SSIOKSWXLIBVRA-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 555.09°C at 760 mmHg (Cal.)
• Flash point: 289.508°C (Cal.)
• Refractive index: 1.571 (Cal.)