3-Acetyl-4-hydroxycoumarin
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3-Acetyl-4-hydroxycoumarin
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CAS No:
2555-37-5
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Formula:
C11H8O4
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Chemical Name:
3-Acetyl-4-hydroxycoumarin
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Synonyms:
2H-1-Benzopyran-2-one,3-acetyl-4-hydroxy-;Coumarin,3-acetyl-4-hydroxy-;3-Acetyl-4-hydroxy-2H-1-benzopyran-2-one;3-Acetyl-4-hydroxycoumarin;NSC 11840;4-Hydroxy-3-acetylcoumarin;3-Acetyl-4-hydroxychromen-2-one;3-Acetyl-4-hydroxy-2H-chromen-2-one
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CAS No:
3-Acetyl-4-hydroxycoumarin Basic Attributes
204.17882
204.18
219-866-8
43DSV8PKL9
11840
DTXSID90180244
2932209090
3-Acetyl-4-hydroxycoumarin Use and Manufacturing
Acetyl salicylic acid can be chlorinated with thionyl chloride to generate acetyl salicylic chloride, which is then condensed with ethyl acetoacetate to obtain ethyl α-(2-acetoxybenzoyl) acetoacetate. The latter is hydrolyzed with sodium hydroxide solution to obtain sodium α-(2-hydroxybenzoyl)acetoacetate, which is then cyclized under the action of sulfuric acid.
New anticoagulant intermediate.
Computed Properties
Molecular Weight:204.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:204.04225873
Monoisotopic Mass:204.04225873
Topological Polar Surface Area:63.6
Heavy Atom Count:15
Complexity:343
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes