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CAS 1609400-90-9

:

2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1)

Description:
2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1) is a chemical compound characterized by its furan ring structure, which is a five-membered aromatic ring containing oxygen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 3-hydroxy-3-methyl-1-butyn-1-yl substituent indicates that it has an alkyne moiety, which can participate in various chemical reactions, including nucleophilic additions and polymerizations. The hydrate form suggests that it can associate with water molecules, influencing its solubility and stability in aqueous environments. This compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry and materials science. Its CAS number, 1609400-90-9, allows for precise identification in chemical databases. Overall, the unique combination of functional groups and structural elements in this compound provides a basis for diverse applications in research and industry.
Formula:C10H10O4·H2O
InChI:InChI=1S/C10H10O4.H2O/c1-10(2,13)6-5-7-3-4-8(14-7)9(11)12;/h3-4,13H,1-2H3,(H,11,12);1H2
InChI key:InChIKey=XSDJYYNFWWYIIX-UHFFFAOYSA-N
SMILES:C(#CC(C)(C)O)C=1OC(C(O)=O)=CC1.O
Synonyms:
  • 2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1)
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