3,5-Dioxooctanedioic acid
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3,5-Dioxooctanedioic acid
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CAS No:
65115-74-4
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Formula:
C8H10O6
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Chemical Name:
3,5-Dioxooctanedioic acid
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Synonyms:
Octanedioic acid,3,5-dioxo-;3,5-Dioxooctanedioic acid
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CAS No:
Description
3,5-dioxooctanedioic acid is an alpha,omega-dicarboxylic acid that is suberic acid which oxo groups replace the hydrogens at positions 3 and 5. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. It has a role as a human metabolite. It is an alpha,omega-dicarboxylic acid and a beta-diketone.
Computed Properties
Molecular Weight:202.16
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:202.04773803
Monoisotopic Mass:202.04773803
Topological Polar Surface Area:109
Heavy Atom Count:14
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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