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  <id type="integer">101777</id>
  <title nil="true"/>
  <common-name>2-[2-(Nonylphenoxy)ethoxy]ethyl docosanoate</common-name>
  <description>2-[2-(Nonylphenoxy)ethoxy]ethyl docosanoate belongs to the phenol ethers, a class of benzenoids within the organic compounds. With an average molecular weight of 631.04 g/mol, 2-[2-(Nonylphenoxy)ethoxy]ethyl docosanoate is a heavy molecule. It has the chemical formula C41H74O4.</description>
  <cas>94022-12-5</cas>
  <pubchem-id>3023298</pubchem-id>
  <chemical-formula>C41H74O4</chemical-formula>
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  <boiling-point nil="true"/>
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  <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">2026-04-05T08:50:46Z</created-at>
  <updated-at type="dateTime">2026-04-05T08:50:46Z</updated-at>
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  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
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  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOC1=CC=CC=C1CCCCCCCCC</moldb-smiles>
  <moldb-formula>C41H74O4</moldb-formula>
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  <moldb-average-mass type="decimal">631.039</moldb-average-mass>
  <moldb-mono-mass type="decimal">630.5587108</moldb-mono-mass>
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  <state nil="true"/>
  <logp nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM097670</chemdb-id>
  <dsstox-id>DTXSID40240261</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00065103</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0140109</sync-id>
  <structure-inchikey>PLIFBJHLLUOJTD-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:40:03Z</structure-indexed-at>
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