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CAS 15485-80-0

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4H-1-BENZOPYRAN-4-ONE

Description:
4H-1-benzopyran-4-one, also known as coumarin, is a fragrant organic compound characterized by its benzopyran structure, which consists of a fused benzene and pyran ring. This compound typically appears as a colorless to pale yellow crystalline solid and has a sweet, vanilla-like odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Coumarin is known for its presence in various plants, contributing to their aroma, and is often used in the fragrance and flavoring industries. Additionally, it has applications in pharmaceuticals and as a precursor for the synthesis of other chemical compounds. However, it is important to note that coumarin has been associated with potential toxicity and regulatory scrutiny, particularly regarding its use in food products. Its chemical properties include a relatively low melting point and boiling point, and it can undergo various chemical reactions, including oxidation and esterification, making it a versatile compound in organic chemistry.
Formula:C15H9NO5
InChI:InChI=1/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
SMILES:c1cc(ccc1c1coc2cc(ccc2c1=O)O)N(=O)=O
Synonyms:
  • 7-Hydroxy-4'-nitroisoflavone
  • 7-hydroxy-3-(4-nitrophenyl)-4H-chromen-4-one
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