3-Hydroxy-3-Methyl-3-(4-Nitrophenyl)Propanoic Acid
[CAS# 5350-45-8]

Identification

• Name: 3-Hydroxy-3-Methyl-3-(4-Nitrophenyl)Propanoic Acid
• Synonyms: 3-Hydroxy-3-(4-Nitrophenyl)Butyric Acid; 3-Hydroxy-3-Methyl-3-(4-Nitrophenyl)Propanoic Acid; Nsc28
• Molecular Formula: C₁₀H₁₁NO₅
• Molecular Weight: 225.20
• CAS Registry Number: 5350-45-8
• SMILES: C1=CC(=CC=C1C(C)(O)CC(=O)O)[N+]([O-])=O
• InChI: 1S/C10H11NO5/c1-10(14,6-9(12)13)7-2-4-8(5-3-7)11(15)16/h2-5,14H,6H2,1H3,(H,12,13)
• InChIKey: KJKUAEMIKPSAOU-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 433.838°C at 760 mmHg (Cal.)
• Flash point: 189.572°C (Cal.)