({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)(4-Nitrophenyl)Acetic Acid
[CAS# 115116-80-8]

Identification

• Name: ({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)(4-Nitrophenyl)Acetic Acid
• Synonyms: (2R)-[(tert-butoxycarbonyl)amino](4-nitrophenyl)ethanoic acid; [(tert-butoxycarbonyl)amino](4-nitrophenyl)acetic acid
• Molecular Formula: C₁₃H₁₆N₂O₆
• Molecular Weight: 296.28
• CAS Registry Number: 115116-80-8
• SMILES: OC(=O)C(NC(=O)OC(C)(C)C)c1ccc(cc1)N(=O)=O
• InChI: 1S/C13H16N2O6/c1-13(2,3)21-12(18)14-10(11(16)17)8-4-6-9(7-5-8)15(19)20/h4-7,10H,1-3H3,(H,14,18)(H,16,17)
• InChIKey: MDWBEVONBWMBJG-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 490.159°C at 760 mmHg (Cal.)
• Flash point: 250.24°C (Cal.)
• Refractive index: 1.558 (Cal.)