4-Methyl-2-(4-Nitro-1,3-Dioxo-1,3-Dihydro-Isoindol-2-Yl)-Pentanoic Acid
[CAS# 18635-95-5]

Identification

• Name: 4-Methyl-2-(4-Nitro-1,3-Dioxo-1,3-Dihydro-Isoindol-2-Yl)-Pentanoic Acid
• Synonyms: (2S)-4-Methyl-2-(4-Nitro-1,3-Dioxo-Isoindolin-2-Yl)Pentanoate; (2S)-4-Methyl-2-(4-Nitro-1,3-Dioxo-2-Isoindolinyl)Pentanoate; (2S)-2-(1,3-Diketo-4-Nitro-Isoindolin-2-Yl)-4-Methyl-Valerate
• Molecular Formula: C₁₄H₁₃N₂O₆
• Molecular Weight: 305.27
• CAS Registry Number: 18635-95-5
• SMILES: [C@H](N1C(=O)C2=C(C1=O)C=CC=C2[N+]([O-])=O)(CC(C)C)C([O-])=O
• InChI: 1S/C14H14N2O6/c1-7(2)6-10(14(19)20)15-12(17)8-4-3-5-9(16(21)22)11(8)13(15)18/h3-5,7,10H,6H2,1-2H3,(H,19,20)/p-1/t10-/m0/s1
• InChIKey: AGYCESFEZUQKOV-JTQLQIEISA-M

Properties

• Boiling point: 510.433°C at 760 mmHg (Cal.)
• Flash point: 262.5°C (Cal.)