5,7-DIHYDROXYCOUMARIN
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5,7-DIHYDROXYCOUMARIN
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CAS No:
2732-18-5
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Formula:
C9H6O4
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Chemical Name:
5,7-DIHYDROXYCOUMARIN
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Synonyms:
5,7-DIHYDROXYCOUMARIN;5,7-Dihydroxy-2H-chromen-2-one;5,7-Dihydroxy-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one,5,7-dihydroxy-
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CAS No:
5,7-DIHYDROXYCOUMARIN Use and Manufacturing
General procedure: An open reaction vessel containing a mixture of the phenol (1.0 mmol), propiolic acid (1.1 mmol), and Yb(OTf)A solution of phloroglucinol (1.0 g, 7.93 mmol) in H2O(15.0 mL) was treated with propiolic acid (0.59 ml, 9.52 mmol), and the mixture was stirred under reflux for12 h. Removal of the solvent from the reaction mixtureunder reduced pressure furnished a residue, which waspurified by normal-phase silica gel column chromatography[CHCl3–MeOH = 10:1] to give 5, 7-dihydroxycoumarin(1a, 1.08 g).1a: White powder; IR (ATR): mmax 1219, 773 cm-1;EIMS: m/z 178 [M]
Computed Properties
Molecular Weight:178.14
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:178.02660867
Monoisotopic Mass:178.02660867
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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