2,6,6-trimethyloxane-2,5-dicarboxylic acid
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2,6,6-trimethyloxane-2,5-dicarboxylic acid
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CAS No:
18674-61-8
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Formula:
C10H16O5
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Chemical Name:
2,6,6-trimethyloxane-2,5-dicarboxylic acid
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Synonyms:
NSC693422;Cineolic acid;SCHEMBL5368390;CHEMBL2003431;NSC-693422;NCI60_033461;2,6,6-trimethyltetrahydropyran-2,5-dicarboxylic acid;2,6,6-Trimethyltetrahydro-2H-pyran-2,5-dicarboxylic acid;18674-61-8
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CAS No:
Computed Properties
Molecular Weight:216.23
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:216.09977361
Monoisotopic Mass:216.09977361
Topological Polar Surface Area:83.8
Heavy Atom Count:15
Complexity:296
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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