<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">79195</id>
  <title nil="true"/>
  <common-name>Benzilic acid</common-name>
  <description nil="true"/>
  <cas>76-93-7</cas>
  <pubchem-id>6463</pubchem-id>
  <chemical-formula>C14H12O3</chemical-formula>
  <weight>228.24</weight>
  <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">2026-04-04T13:52:24Z</created-at>
  <updated-at type="dateTime">2026-08-19T04:52:32Z</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(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C14H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)</moldb-inchi>
  <moldb-inchikey>UKXSKSHDVLQNKG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">228.247</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.078644</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>6220</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>CHEM075088</chemdb-id>
  <dsstox-id>DTXSID0058805</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00037863</susdat-id>
  <iupac>2-hydroxy-2,2-diphenylacetic acid</iupac>
  <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>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer">183</paper-count>
  <sync-id>CED0015731</sync-id>
  <structure-inchikey>UKXSKSHDVLQNKG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20002000000000000000000000000000000000000000000000000000000000000000040000001000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000001000000000000000000000001000000000000000000000800000000c0000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000080400000000000000400000000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(������� ������`������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������� ��(������������h���h���h��	h�	
h������h��h��h���h���h�
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�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T02:43:27Z</structure-indexed-at>
</compound>
