methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate
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![methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21280e515b8f4d40811bb8e032fce03f.png "methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate")
methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate
structure -
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CAS No:
269058-82-4
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Formula:
C21H16O8
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Chemical Name:
methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate
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Synonyms:
Nogalonic acid methyl ester;methyl nogalonate;AKOS004902732;C12415;methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate;AC1L9F9L;Nogalonic acid methyl;CHEBI:31916;CHEBI:85142;ZINC3850717;269058-82-4;methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-2-anthryl]acetate;methyl (3-acetoacetyl-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetate
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CAS No:
Description
Methyl nogalonate is the methyl ester of nogalonic acid. It is a methyl ester, a polyketide, a polyphenol and a dihydroxyanthraquinone. It derives from a nogalonic acid. It is a conjugate acid of a methyl nogalonate(1-).
methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate Basic Attributes
396.3 g/mol
396.08451746 g/mol
Computed Properties
Molecular Weight:396.3
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:396.08451746
Monoisotopic Mass:396.08451746
Topological Polar Surface Area:135
Heavy Atom Count:29
Complexity:728
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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