<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365308</id>
  <title nil="true"/>
  <common-name>5-chloro-6-(2,3-dihydroxypropoxy)-6-oxohexanoic acid</common-name>
  <description>5-chloro-6-(2,3-dihydroxypropoxy)-6-oxohexanoic acid is a chemical compound with the formula C9H15ClO6. It has an average molecular weight of 254.66 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>118856202</pubchem-id>
  <chemical-formula>C9H15ClO6</chemical-formula>
  <weight>254.66</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">2026-09-01T15:49:46Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:49:46Z</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>C(CC(C(=O)OCC(CO)O)Cl)CC(=O)O</moldb-smiles>
  <moldb-formula>C9H15ClO6</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15ClO6/c10-7(2-1-3-8(13)14)9(15)16-5-6(12)4-11/h6-7,11-12H,1-5H2,(H,13,14)</moldb-inchi>
  <moldb-inchikey>FHNNEOYQGQEZBS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">254.0557159</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.3</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>CHEM361201</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>5-chloro-6-(2,3-dihydroxypropoxy)-6-oxohexanoic 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315264</sync-id>
  <structure-inchikey>FHNNEOYQGQEZBS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000200000010000000000000000002100000000000000000000000000000000000000004000000000000000000000020000000001200002000000400000040000000000020000000000100000000001000000000000000010000000000000000000000000020000000000000000000000000000000000000000000000002000100000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000800000008000000000000000000000000000010000000000000400000000000000000000000000000000000000000010400010000000000400000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`������� ������`�������(�������(�������h������������������(��� ����������	��
����������(�� B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:25Z</structure-indexed-at>
</compound>
