<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321288</id>
  <title nil="true"/>
  <common-name>2-oxoethyl(triphenyl)phosphanium</common-name>
  <description>2-oxoethyl(triphenyl)phosphanium is a chemical compound with the formula C20H18OP+. It has an average molecular weight of 305.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>2733864</pubchem-id>
  <chemical-formula>C20H18OP+</chemical-formula>
  <weight>305.3</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">2026-08-29T20:40:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:40:46Z</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>C1=CC=C(C=C1)[P+](CC=O)(C2=CC=CC=C2)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C20H18OP+</moldb-formula>
  <moldb-inchi>InChI=1S/C20H18OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17H2/q+1</moldb-inchi>
  <moldb-inchikey>FUCSWGRAIIZMAB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">305.1095272</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM317181</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-oxoethyl(triphenyl)phosphanium</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>Phenylphosphines and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272010</sync-id>
  <structure-inchikey>FUCSWGRAIIZMAB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000200004000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000040000800000000000000004000000000100000000000000800000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000200000000000000000000020000000044000000000000000200000000000000000000000004</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-indexed-at type="dateTime">2026-09-19T05:26:10Z</structure-indexed-at>
</compound>
