decanedioate
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decanedioate
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CAS No:
45130-36-7
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Formula:
C10H16O4-2
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Chemical Name:
decanedioate
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Synonyms:
decanedioate;sebacate(2-);sebacate;UNII-PYO1TT7HG2;PYO1TT7HG2;Sebacate dianion;Sebacate-;decanedioate(2-);Decanedioic acid, ION(2-);CHEBI:76283;C10-DCA(2-);Q27145852;45130-36-7
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CAS No:
Description
Sebacate(2-) is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3. It has a role as a human metabolite and a plant metabolite. It is a dicarboxylic acid dianion and a sebacate. It is a conjugate base of a sebacic acid.
Computed Properties
Molecular Weight:200.23
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:200.10485899
Monoisotopic Mass:200.10485899
Topological Polar Surface Area:80.3
Heavy Atom Count:14
Formal Charge:-2
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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