<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">94676</id>
  <title nil="true"/>
  <common-name>2-(Bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal</common-name>
  <description>2-(Bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C14H20O and an average molecular weight of 202.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>57349574</pubchem-id>
  <chemical-formula>C14H20O</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">2026-04-05T02:57:12Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:57:12Z</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>[H]C(CC)=C([H])C(C=O)=C([H])C1CC2CC1C=C2</moldb-smiles>
  <moldb-formula>C14H20O</moldb-formula>
  <moldb-inchi>InChI=1/C14H20O/c1-2-3-4-12(10-15)9-14-8-11-5-6-13(14)7-11/h5-6,9-11,13-14H,2-4,7-8H2,1H3</moldb-inchi>
  <moldb-inchikey>JQKLBMYWUWDXRL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">202.297</moldb-average-mass>
  <moldb-mono-mass type="decimal">204.1514153</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>CHEM090569</chemdb-id>
  <dsstox-id>DTXSID20959208</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00056521</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">0</paper-count>
  <sync-id>CED0171781</sync-id>
  <structure-inchikey>JNXHXORWYNOVCN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000802000000000000000000000000000000000000000010040400002000000000000040000004000000000000004000000000000000000000000000000000000000004000000000020000000000200000000000000000000000000010000008000800800000000000000020000000000010000000800100000000040000090000000000002000000000000000000000000000001000000000800000000000000080000100400000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000001000000000000000000000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���8��������`�������`�������8��������(�������h��������(�������8��������`�������`�������`�������`�������`�������h��������h���������������(��� �� ��(���(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:35:56Z</structure-indexed-at>
</compound>
