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CAS 5693-27-6

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1H-2-Benzopyran-1,4(3H)-dione

Description:
1H-2-Benzopyran-1,4(3H)-dione, commonly 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 with 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 role in various biological activities, including anticoagulant properties, and is often used in the fragrance and flavoring industries. Additionally, it serves as a precursor in the synthesis of various pharmaceuticals and agrochemicals. The compound exhibits fluorescence and has been studied for its potential applications in photodynamic therapy and as a fluorescent probe in biochemical research. However, it is important to note that coumarin can be toxic in high doses and is regulated in some countries due to its potential health risks. Overall, 1H-2-Benzopyran-1,4(3H)-dione is a versatile compound with significant industrial and medicinal relevance.
Formula:C9H6O3
InChI:InChI=1S/C9H6O3/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChI key:InChIKey=FRPUZPKXFMJGKF-UHFFFAOYSA-N
SMILES:O=C1C=2C(C(=O)OC1)=CC=CC2
Synonyms:
  • 4-Oxo-3,4-dihydroisocoumarin
  • Benzoic acid, o-glycoloyl-, lactone
  • 1H-2-Benzopyran-1,4(3H)-dione
  • 1,4-Isochromandione
  • Benzoic acid, 2-(hydroxyacetyl)-, δ-lactone
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