<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335369</id>
  <title nil="true"/>
  <common-name>(2-oxo-2-prop-2-enoxyethyl)-triphenylphosphanium</common-name>
  <description>(2-oxo-2-prop-2-enoxyethyl)-triphenylphosphanium is a chemical compound with the formula C23H22O2P+. It has an average molecular weight of 361.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>4061207</pubchem-id>
  <chemical-formula>C23H22O2P+</chemical-formula>
  <weight>361.4</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">2026-08-30T17:31:32Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:31:32Z</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>C=CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C23H22O2P+</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17H,1,18-19H2/q+1</moldb-inchi>
  <moldb-inchikey>HRVUBYDKEWNBKA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">361.1357419</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM331262</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-oxo-2-prop-2-enoxyethyl)-triphenylphosphanium</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>CED0285841</sync-id>
  <structure-inchikey>HRVUBYDKEWNBKA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000010000000000000000800000000000000000000000000000000000000000004000000000000000000000004000000000000000000000000000000000000000020000000000300000000000000000000000000010000000000000000000000000000001008000000000000000000000000000000040000800000000000000000000000000100000000000000000000002000000000010000000200082000000000000000000000000000000001000000000000000000000000000000040000000000000000000000000200000000000000000000020000000044000000000400000200100000200000000000000000</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�	
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���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:04Z</structure-indexed-at>
</compound>
