5-oxocyclohexane-1,3-dicarboxylic acid
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5-oxocyclohexane-1,3-dicarboxylic acid
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CAS No:
90954-19-1
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Formula:
C8H10O5
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Chemical Name:
5-oxocyclohexane-1,3-dicarboxylic acid
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Synonyms:
3,5-Dicarboxy-cyclohexanon; 5-Oxo-1,3-cyclohexanedicarboxylic acid;
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CAS No:
Computed Properties
Molecular Weight:186.16
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:186.05282342
Monoisotopic Mass:186.05282342
Topological Polar Surface Area:91.7
Heavy Atom Count:13
Complexity:233
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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