2-(3,5-Dioxo-4-Azatetracyclo[5.3.2.0^2,6.0^8,10]Dodec-11-En-4-Yl)-3-Methylbutanoic Acid
[CAS# 436811-19-7]

Identification

• Name: 2-(3,5-Dioxo-4-Azatetracyclo[5.3.2.0^2,6.0^8,10]Dodec-11-En-4-Yl)-3-Methylbutanoic Acid
• Synonyms: 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-methylbutanoic acid; 2-(1,3-Dioxooctahydro-4,6-ethenocyclopropa-[f]isoindol-2(1H)-yl)-3-methylbutanoic acid; 2-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl)-3-methylbu tanoic acid
• Molecular Formula: C₁₆H₁₉NO₄
• Molecular Weight: 289.33
• CAS Registry Number: 436811-19-7
• SMILES: O=C(O)C(N3C(=O)C4C1/C=C\C(C2C1C2)C4C3=O)C(C)C
• InChI: 1S/C16H19NO4/c1-6(2)13(16(20)21)17-14(18)11-7-3-4-8(10-5-9(7)10)12(11)15(17)19/h3-4,6-13H,5H2,1-2H3,(H,20,21)
• InChIKey: ABNVHVKLRCQXOW-UHFFFAOYSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 517.442°C at 760 mmHg (Cal.)
• Flash point: 266.74°C (Cal.)
• Refractive index: 1.6 (Cal.)

Safety Data

• Safety Description: IRRITANT