95486 <common-name>Ethyl 2-formylpent-4-en-1-oate</common-name> <description>Ethyl 2-formylpent-4-en-1-oate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C8H12O3 and an average molecular weight of 156.18 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>36873-45-7</cas> <pubchem-id>3015869</pubchem-id> <chemical-formula>C8H12O3</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">2026-04-05T03:23:35Z</created-at> <updated-at type="dateTime">2026-04-05T03:23:35Z</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(CC=C)C=O</moldb-smiles> <moldb-formula>C8H12O3</moldb-formula> <moldb-inchi>InChI=1/C8H12O3/c1-3-5-7(6-9)8(10)11-4-2/h3,6-7H,1,4-5H2,2H3</moldb-inchi> <moldb-inchikey>YUPFMQXKQATEPA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">156.181</moldb-average-mass> <moldb-mono-mass type="decimal">156.0786442</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>CHEM091379</chemdb-id> <dsstox-id>DTXSID60958073</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057462</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0191658</sync-id> <structure-inchikey>YUPFMQXKQATEPA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000008400000000000000000000000000000000020000000000380000000000000000000000000010000000000000000000000000000000008000000000000000800000000000040000000000000000004000004000000000000000000020000001000000004000000000000000200000000000000000000000000000000000000000000000000000000000000000000040000000000000000002000000000000000000000082000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������(�������(�������(�������`�������`�������h��������h��������h��������(�������������� ��(��������������� � ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:26Z</structure-indexed-at> </compound>