2-oxooctanedioic acid
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2-oxooctanedioic acid
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CAS No:
96406-05-2
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Formula:
C8H12O5
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Chemical Name:
2-oxooctanedioic acid
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Synonyms:
2-ketosuberate;alpha-ketosuberate;alpha-ketosuberic acid;2-Oxosuberate;alpha-Ketosuberic acid;alpha-Ketosuberate;Octanedioic acid, 2-oxo-;96406-05-2;2-Ketosuberate;2-Oxooctanedionic acid;2-oxooctanedioic acid;SCHEMBL2993356;CHEBI:80587;DTXSID50914527;ZINC5113008;alpha-Ketosuberic acid, >=97.0% (HPLC);C16589;Q27149629
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CAS No:
Description
2-oxosuberic acid is an oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2. It derives from a suberic acid. It is a conjugate acid of a 2-oxosuberate(2-).
Computed Properties
Molecular Weight:188.18
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:188.06847348
Monoisotopic Mass:188.06847348
Topological Polar Surface Area:91.7
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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