3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
structure -
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CAS No:
480-47-7
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Formula:
C15H12O4
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Chemical Name:
3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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Synonyms:
1H-2-Benzopyran-1-one,3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-;Isocoumarin,3,4-dihydro-8-hydroxy-3-(p-hydroxyphenyl)-;3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one;Hydrangenol;(±)-Hydrangenol;80394-92-9
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CAS No:
Description
ChEBI: A member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-all rgic activity.
Hydrangenol is a member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. It has a role as an anti-allergic agent and a plant metabolite. It is a member of phenols and a member of dihydroisocoumarins. It derives from a 3,4-dihydroisocoumarin.
Characteristics
66.8
2.54
1.4±0.1 g/cm3
181-182 °C @ Solvent: Ethanol
528.3±50.0 °C at 760 mmHg
206.4±23.6 °C
1.662
8.86E-12mmHg at 25°C
Computed Properties
Molecular Weight:256.25
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:256.07355886
Monoisotopic Mass:256.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:335
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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