72315 <common-name>2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-</common-name> <description>2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)- belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C13H10O2 and an average molecular weight of 198.22 g/mol.</description> <cas>30237-07-1</cas> <pubchem-id>121659</pubchem-id> <chemical-formula>C13H10O2</chemical-formula> <weight>198.22</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">2026-04-03T21:38:03Z</created-at> <updated-at type="dateTime">2026-08-18T22:30:00Z</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>CC1=CC=C(C=C1)C1=CC(=O)C=CC1=O</moldb-smiles> <moldb-formula>C13H10O2</moldb-formula> <moldb-inchi>InChI=1S/C13H10O2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8H,1H3</moldb-inchi> <moldb-inchikey>RGVRHOACBLJGAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.221</moldb-average-mass> <moldb-mono-mass type="decimal">198.06808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>108552</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>CHEM068208</chemdb-id> <dsstox-id>DTXSID1067544</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028882</susdat-id> <iupac>2-(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione</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">224</paper-count> <sync-id>CED0014715</sync-id> <structure-inchikey>RGVRHOACBLJGAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000001000000000000000000020000000000000000000000000000000000000000000000000000000001000000000000000000000000020000000000000020000800010000000040000000000000000000000000000800000000000000001000000000000000000000040000000000000000000004020810000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000100000000000044000000000080000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BgAoAAAAAwQGAGgAAAADAwEGACgAAAADBAgAKAAAAAMCBgBoAAAAAwMBBgBo AAAAAwMBBgAoAAAAAwQIACgAAAADAgsAAQABAmgMAgNoDAMEaAwEBWgMBQZo DAQHIAcIKAIICSAJCigCCQsgCwwoAgwNIA0OKAIGAWgMDQcgQgIAAAAGAQYF BAMCBggJCwwNBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:17Z</structure-indexed-at> </compound>