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<compound>
  <id type="integer">23587</id>
  <title nil="true"/>
  <common-name>2-Hydroxydecanedioic acid</common-name>
  <description>2-Hydroxydecanedioic acid belongs to the medium-chain hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. This compound has the chemical formula C10H18O5 and an average molecular weight of 218.25 g/mol. It is further classified under the superclass of organic acids and derivatives.</description>
  <cas>103963-71-9</cas>
  <pubchem-id>128458</pubchem-id>
  <chemical-formula>C10H18O5</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-25T18:37:01Z</created-at>
  <updated-at type="dateTime">2026-04-06T12:14:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(CCCCCCCC(O)=O)C(O)=O</moldb-smiles>
  <moldb-formula>C10H18O5</moldb-formula>
  <moldb-inchi>InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)</moldb-inchi>
  <moldb-inchikey>LPIOYESQKJFWPQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">218.2469</moldb-average-mass>
  <moldb-mono-mass type="decimal">218.115423686</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM022482</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00123258</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>94.83</moldb-polar-surface-area>
  <moldb-refractivity>52.6352</moldb-refractivity>
  <moldb-polarizability>23.383498888262327</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.15977916410913</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.7975287125165815</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.87</moldb-alogps-logp>
  <moldb-alogps-logs>-1.95</moldb-alogps-logs>
  <moldb-alogps-solubility>2.42e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Hydroxy acids and derivatives</klass>
  <subklass>Medium-chain hydroxy acids and derivatives</subklass>
  <paper-count type="integer">3796327</paper-count>
  <sync-id>CED0030545</sync-id>
  <structure-inchikey>LPIOYESQKJFWPQ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:09:22Z</structure-indexed-at>
</compound>
