97817 <common-name>1-Methyl-2-oxopropyl phenylacetate</common-name> <description>1-Methyl-2-oxopropyl phenylacetate 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. This substance is further classified as an organic oxygen compound.</description> <cas>84642-55-7</cas> <pubchem-id>16205514</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">2026-04-05T05:30:52Z</created-at> <updated-at type="dateTime">2026-04-05T05:30:52Z</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>CC(OC(=O)CC1=CC=CC=C1)C(C)=O</moldb-smiles> <moldb-formula>C12H14O3</moldb-formula> <moldb-inchi>InChI=1/C12H14O3/c1-9(13)10(2)15-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3</moldb-inchi> <moldb-inchikey>GIIKAFRAYAIAAR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.241</moldb-average-mass> <moldb-mono-mass type="decimal">206.0942943</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>CHEM093710</chemdb-id> <dsstox-id>DTXSID201004924</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060241</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">2</paper-count> <sync-id>CED0050646</sync-id> <structure-inchikey>GIIKAFRAYAIAAR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400800000000000000000000000000000000000000000000000001000000000040000000000000004001000000000000000000000000000000000000000000000000000000000000020000000000100008000020000000000000000010000000000000000000000000040000000000000000000000100400000000040200000800000000000000000000000000100000000000000000400000000000000000000000000082000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000220000000000000000000000000000040000000000400000000000000400000000000000000</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">2026-09-19T04:37:46Z</structure-indexed-at> </compound>