<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">89799</id>
  <title nil="true"/>
  <common-name>2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one</common-name>
  <description>2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C7H10O2 and an average molecular weight of 126.16 g/mol.</description>
  <cas>21834-98-0</cas>
  <pubchem-id>89538</pubchem-id>
  <chemical-formula>C7H10O2</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T23:56:40Z</created-at>
  <updated-at type="dateTime">2026-04-04T23:56:40Z</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>CC1CC(C)=C(O)C1=O</moldb-smiles>
  <moldb-formula>C7H10O2</moldb-formula>
  <moldb-inchi>InChI=1/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3</moldb-inchi>
  <moldb-inchikey>RLEJFFGSMZQXJX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">126.155</moldb-average-mass>
  <moldb-mono-mass type="decimal">126.0680796</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM085692</chemdb-id>
  <dsstox-id>DTXSID50944440</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00050761</susdat-id>
  <iupac nil="true"/>
  <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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">4</paper-count>
  <sync-id>CED0045445</sync-id>
  <structure-inchikey>RLEJFFGSMZQXJX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000010000000000080000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000000000000000020000800000000000000080100000000040000000000000000000000000000000000000000000000000000000000000040000000000000000080400000000000000200000000000000000000000000000008000002100000000000000000000000000002000000000000100000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������	���	���€���`�������`�������`�������(�������`�������(�������h��������(�������(��������������������(��� �� ��(����B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:32:52Z</structure-indexed-at>
</compound>
