9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid
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9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid
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CAS No:
91432-47-2
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Formula:
C21H16O8
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Chemical Name:
9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid
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Synonyms:
2-Anthraceneacetic acid,9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-;9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid;Aklanonic acid
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CAS No:
Description
ChEBI: An anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 5, a carboxymethyl group at position 2 and a 3-oxopentanoyl group at position 3.
9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid Basic Attributes
396.3
396.35
Computed Properties
Molecular Weight:396.3
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:396.08451746
Monoisotopic Mass:396.08451746
Topological Polar Surface Area:149
Heavy Atom Count:29
Complexity:741
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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9,10-Dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-2-anthraceneacetic acid
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