<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>3-[(e)-2-dibutoxyphosphorylethenyl]pyridine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6445148</pubchem-id>
  <chemical-formula>C15H24NO3P</chemical-formula>
  <weight>297.33</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">2026-08-28T15:11:00Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:11:00Z</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>CCCCOP(=O)(C=CC1=CN=CC=C1)OCCCC</moldb-smiles>
  <moldb-formula>C15H24NO3P</moldb-formula>
  <moldb-inchi>InChI=1S/C15H24NO3P/c1-3-5-11-18-20(17,19-12-6-4-2)13-9-15-8-7-10-16-14-15/h7-10,13-14H,3-6,11-12H2,1-2H3/b13-9+</moldb-inchi>
  <moldb-inchikey>UQOWBCKRGOKJFD-UKTHLTGXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">297.1493806</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM294683</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>3-[(e)-2-dibutoxyphosphorylethenyl]pyridine</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>Organic acids and derivatives</superklass>
  <klass>Organic phosphonic acids and derivatives</klass>
  <subklass>Phosphonic acid diesters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250115</sync-id>
  <structure-inchikey>UQOWBCKRGOKJFD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000080000000000000000000000002000400000000000000002400008000000004000000000002000000000000000000000000010000400000000020000000000300000200000000000000000020000000001000000000000000000000000000000000000000040000000000100040000000800000000000000000000000000000000000000000000000000000000000000000c00000080000000000000000000080000000000000000100000400000020001000000000000008000000000000080000000200000000000000000000000000002040000000010000000000000000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������ ������(�������h��������h�������@(������@h�������@(������@h�������@h�������@h�������� ������`�������`�������`�������`������������������������������(��	 	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:09:16Z</structure-indexed-at>
</compound>
