77102 <common-name>Ethyl 4-oxo-4-phenylbutyrate</common-name> <description>Ethyl 4-oxo-4-phenylbutyrate belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C12H14O3 and an average molecular weight of 206.24 g/mol. It is further classified as an organic oxygen compound.</description> <cas>6270-17-3</cas> <pubchem-id>80451</pubchem-id> <chemical-formula>C12H14O3</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">2026-04-04T08:16:50Z</created-at> <updated-at type="dateTime">2026-04-04T08:16:50Z</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)CCC(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H14O3</moldb-formula> <moldb-inchi>InChI=1S/C12H14O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3</moldb-inchi> <moldb-inchikey>BRUOEHVDTAORQY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.241</moldb-average-mass> <moldb-mono-mass type="decimal">206.094294</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>72662</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>CHEM072995</chemdb-id> <dsstox-id>DTXSID60211776</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035133</susdat-id> <iupac>ethyl 4-oxo-4-phenylbutanoate</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0059138</sync-id> <structure-inchikey>BRUOEHVDTAORQY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000000000000000000000000000000000002000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000004000100000000000000000000000000010000000000000000000000000000000000000000000000000000000000000040000000800000000000000000000000000100000000020800000000000000000000000000000000086000000001000000100000000000000000000000000008000000000000200000000000000000040000002000000200000000000000000000000000000040000000000400000000000000004000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������`�������(�������(������@(������@h�������@h�������@h�������@h�������@h��������������� ��(������������(�� h� �h���h�� h� �h�� h�B����� � �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:55Z</structure-indexed-at> </compound>