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CAS 42059-58-5

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(2E)-3-(4-Oxo-4H-1-benzopyran-3-yl)-2-propenoic acid

Description:
(2E)-3-(4-Oxo-4H-1-benzopyran-3-yl)-2-propenoic acid, also known as a coumarin derivative, is characterized by its unique structural features that include a benzopyran moiety and an acrylic acid functional group. This compound typically exhibits a yellow to orange color and is soluble in organic solvents, while its solubility in water may be limited. The presence of the 4-oxo group contributes to its reactivity and potential biological activity, making it of interest in various fields such as medicinal chemistry and natural product synthesis. Its conjugated double bond system enhances its ability to absorb UV light, which can be utilized in photochemical applications. Additionally, this compound may exhibit antioxidant properties and has been studied for its potential therapeutic effects, including anti-inflammatory and anticancer activities. As with many organic compounds, its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, (2E)-3-(4-Oxo-4H-1-benzopyran-3-yl)-2-propenoic acid represents a versatile structure with significant implications in chemical and biological research.
Formula:C12H8O4
InChI:InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/b6-5+
InChI key:InChIKey=JTKDMUFCCJDYLT-AATRIKPKSA-N
SMILES:O=C1C=2C(OC=C1/C=C/C(O)=O)=CC=CC2
Synonyms:
  • (2E)-3-(4-Oxo-4H-1-benzopyran-3-yl)-2-propenoic acid
  • (2E)-3-(4-Oxo-4H-chromen-3-yl)acrylic acid
  • 2-Propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)-, (E)-
  • 2-propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)-, (2E)-
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