3-(3,5-Dioxo-4-Azatetracyclo[5.3.2.0^2,6.0^8,10]Dodec-11-En-4-Yl)Propanoic Acid
[CAS# 436811-18-6]

Identification

• Name: 3-(3,5-Dioxo-4-Azatetracyclo[5.3.2.0^2,6.0^8,10]Dodec-11-En-4-Yl)Propanoic Acid
• Synonyms: 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid; 3-(1,3-Dioxooctahydro-4,6-ethenocyclopropa-[f]isoindol-2(1H)-yl)propanoic acid; 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dodec-11-en-4-yl)propanoic a cid
• Molecular Formula: C₁₄H₁₅NO₄
• Molecular Weight: 261.27
• CAS Registry Number: 436811-18-6
• SMILES: O=C3N(C(=O)C4C1/C=C\C(C2C1C2)C34)CCC(=O)O
• InChI: 1S/C14H15NO4/c16-10(17)3-4-15-13(18)11-6-1-2-7(9-5-8(6)9)12(11)14(15)19/h1-2,6-9,11-12H,3-5H2,(H,16,17)
• InChIKey: QVKBNBWTDBEIPL-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 513.797°C at 760 mmHg (Cal.)
• Flash point: 264.535°C (Cal.)
• Refractive index: 1.619 (Cal.)

Safety Data

• Safety Description: IRRITANT