10021 <common-name>3-Cyclohexene-1-carboxaldehyde</common-name> <description nil="true"/> <cas>100-50-5</cas> <pubchem-id>7508</pubchem-id> <chemical-formula>C7H10O</chemical-formula> <weight>110.15</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">2016-05-19T02:55:01Z</created-at> <updated-at type="dateTime">2026-08-23T17:24:16Z</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>O=CC1CCC=CC1</moldb-smiles> <moldb-formula>C7H10O</moldb-formula> <moldb-inchi>InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2</moldb-inchi> <moldb-inchikey>DCFDVJPDXYGCOK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">110.156</moldb-average-mass> <moldb-mono-mass type="decimal">110.073164942</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21106029</chemspider-id> <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>CHEM008916</chemdb-id> <dsstox-id>DTXSID1026661</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002610</susdat-id> <iupac>cyclohex-3-ene-1-carbaldehyde</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>34.037099999999995</moldb-refractivity> <moldb-polarizability>12.379174161990914</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>18.653953227826733</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.027712350196118</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.39</moldb-alogps-logp> <moldb-alogps-logs>-1.65</moldb-alogps-logs> <moldb-alogps-solubility>2.46e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organic oxides</klass> <subklass nil="true"/> </compound>