3,6-Dihydroxyflavone
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3,6-Dihydroxyflavone
structure -
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CAS No:
108238-41-1
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Formula:
C15H10O4
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Chemical Name:
3,6-Dihydroxyflavone
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Synonyms:
4H-1-Benzopyran-4-one,3,6-dihydroxy-2-phenyl-;Flavone,3,6-dihydroxy-;3,6-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one;3,6-Dihydroxyflavone;3,6-Dihydroxy-2-phenyl-4H-chromen-4-one;3,6-Dihydroxy-2-phenylchromen-4-one
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CAS No:
Characteristics
66.8
2.87120
1.472g/cm3
231-234 °C(lit.)
477.1ºC at 760 mmHg
186.2ºC
1.712
Soluble in water.
Safety Information
3
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
3,6-Dihydroxyfavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(6-hydroxy-4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid.
3,6-dihydroxyflavone
Computed Properties
Molecular Weight:254.24
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:254.05790880
Monoisotopic Mass:254.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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