5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
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![5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a4aa3db72b90454e96b6a8e8af4ea02f.png "5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one")
5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
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CAS No:
21618-92-8
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Formula:
C11H12O4
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Chemical Name:
5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
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Synonyms:
5-[(3,4-Dihydroxyphenyl)methyl]dihydro-2(3H)-furanone; 5-(3,4-dihydroxy-benzyl)-dihydro-furan-2-one; 5-(3,4-dihydroxybenzyl)dihydrofuran-2(3H)-one; (+-)-5-(3,4-Dihydroxy-benzyl)-dihydro-furan-2-on; Tetrahydro-5-(3,4-dihydroxybenzyl)-2-furanone;
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CAS No:
Characteristics
66.76000
1.34590
1.375g/cm3
145-146ºC
468.4ºC at 760 mmHg
190.6ºC
1.618
2.14E-09mmHg at 25°C
Drug Information
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone is a known human metabolite of Epicatechin.
delta-(3,4-dihydroxyphenyl)-gamma-valerolactone
Computed Properties
Molecular Weight:208.21
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:15
Complexity:241
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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