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<compound>
  <id type="integer">69219</id>
  <title nil="true"/>
  <common-name>Ethyl oxanilate</common-name>
  <description>Ethyl oxanilate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C10H11N1O3 and an average molecular weight of 193.20 g/mol.</description>
  <cas>1457-85-8</cas>
  <pubchem-id>73826</pubchem-id>
  <chemical-formula>C10H11N1O3</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">2026-04-03T14:42:27Z</created-at>
  <updated-at type="dateTime">2026-04-03T14:42:27Z</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>CCOC(=O)C(=O)NC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C10H11N1O3</moldb-formula>
  <moldb-inchi>InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>YDGAUBHKCSKF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">193.202</moldb-average-mass>
  <moldb-mono-mass type="decimal">193.073893</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>66460</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM065112</chemdb-id>
  <dsstox-id>DTXSID3074527</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00024757</susdat-id>
  <iupac>ethyl 2-anilino-2-oxoacetate</iupac>
  <moldb-polar-surface-area>55.400000000000006</moldb-polar-surface-area>
  <moldb-refractivity>52.23360000000001</moldb-refractivity>
  <moldb-polarizability>19.73535874178706</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.740720072936899</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-6.193333170611249</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.86</moldb-alogps-logp>
  <moldb-alogps-logs>-2.34</moldb-alogps-logs>
  <moldb-alogps-solubility>8.91e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0062166</sync-id>
  <structure-inchikey>YDGAUBHNAKCSKF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000010000000000100000000000000000000000002000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000004101000000000000000000000000010000000000000000000000000000000000000000000000000000000000000040000400800100000000000080000000000100200000020000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000040000000000000000000000000002000000200000000400000008000000000000048000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:19:01Z</structure-indexed-at>
</compound>
