<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">361794</id>
  <title nil="true"/>
  <common-name>4-ethyl-3-methyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide</common-name>
  <description>4-ethyl-3-methyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide is a chemical compound with the formula C7H13O4P. It has an average molecular weight of 192.15 g/mol.</description>
  <cas>82515-37-5</cas>
  <pubchem-id>3067949</pubchem-id>
  <chemical-formula>C7H13O4P</chemical-formula>
  <weight>192.15</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">2026-09-01T10:48:20Z</created-at>
  <updated-at type="dateTime">2026-09-01T10:48:20Z</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>CCC12COP(=O)(OC1)OC2C</moldb-smiles>
  <moldb-formula>C7H13O4P</moldb-formula>
  <moldb-inchi>InChI=1S/C7H13O4P/c1-3-7-4-9-12(8,10-5-7)11-6(7)2/h6H,3-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>SKMSLZJBMOEFJQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">192.0551459</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM357687</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>4-ethyl-3-methyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide</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 phosphoric acids and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0311902</sync-id>
  <structure-inchikey>SKMSLZJBMOEFJQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000400000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000800000000000000000000000020800000000000000000100000000000000000002000000000000000000000000000020000000020000000000240100000000048000000000000000000008000000000010000080080000000000000000400040000000001000001000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`������� ������`������� ������ ������(������� ������`������� ������`�������`��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:59:02Z</structure-indexed-at>
</compound>
