2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid
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2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid
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CAS No:
39212-21-0
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Formula:
C12H16O5
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Chemical Name:
2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid
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Synonyms:
2-carboxymethyl-3-hexylmaleic acid anhydride;(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid;39212-21-0;2-Carboxymethyl-3-n-hexylmaleic acid anhydride;3-Furanacetic acid, 4-hexyl-2,5-dihydro-2,5-dioxo-;(4-hexyl-2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid;CHEBI:87585;4-Hexyl-2,5-dioxofuran-3-acetic acid;4-hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid;Q27159751;(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid #
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CAS No:
Description
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid is a cyclic dicarboxylic anhydride that is furan-2,5-dione substituted by at position 3 by a carboxymethyl group and a hexyl group at position 4. It has a role as a metabolite. It is a cyclic dicarboxylic anhydride, a member of furans and a dioxo monocarboxylic acid.
Computed Properties
Molecular Weight:240.25
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:240.09977361
Monoisotopic Mass:240.09977361
Topological Polar Surface Area:80.7
Heavy Atom Count:17
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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