78047 <common-name>Ethyl cyanocyclohexylideneacetate</common-name> <description nil="true"/> <cas>6802-76-2</cas> <pubchem-id>81256</pubchem-id> <chemical-formula>C11H15N1O2</chemical-formula> <weight>193.24</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">2026-04-04T11:26:58Z</created-at> <updated-at type="dateTime">2026-08-18T11:17:06Z</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>CCOC(=O)C(C#N)=C1CCCCC1</moldb-smiles> <moldb-formula>C11H15N1O2</moldb-formula> <moldb-inchi>InChI=1S/C11H15NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7H2,1H3</moldb-inchi> <moldb-inchikey>PZAJJZJKRVXKCS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">193.246</moldb-average-mass> <moldb-mono-mass type="decimal">193.110279</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73312</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>CHEM073940</chemdb-id> <dsstox-id>DTXSID70218211</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036354</susdat-id> <iupac>ethyl 2-cyano-2-cyclohexylideneacetate</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>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">392344</paper-count> <sync-id>CED0000545</sync-id> <structure-inchikey>PZAJJZJKRVXKCS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000000010000000000000000000000000000000000002000200000000000000000000000000000000000000000000000000000000000000000000000000000000000020000020004100004000000000000000000200110000000000000000000000000000020000000000000000000000000800000040000000000000200000020000000000000000000000020000000000000000000000040000000000088000000000000000000000000800000000000000000000000000000040000000000000000000000000002000200000000000000000010000000000000000000000000600000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������(�������(�������(�������(�������`�������`�������`�������`�������`�������������� ��(��� �� ��(���(�� � � ������ � ��B������ �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:35Z</structure-indexed-at> </compound>