362810 <common-name>2-methyl-3-oxocyclohexene-1-carboxylic acid</common-name> <description>2-methyl-3-oxocyclohexene-1-carboxylic acid is a chemical compound with the formula C8H10O3. It has an average molecular weight of 154.16 g/mol.</description> <cas>65456-67-9</cas> <pubchem-id>13389371</pubchem-id> <chemical-formula>C8H10O3</chemical-formula> <weight>154.16</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">2026-09-01T12:13:19Z</created-at> <updated-at type="dateTime">2026-09-01T12:13:19Z</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=C(CCCC1=O)C(=O)O</moldb-smiles> <moldb-formula>C8H10O3</moldb-formula> <moldb-inchi>InChI=1S/C8H10O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H2,1H3,(H,10,11)</moldb-inchi> <moldb-inchikey>KUWAUXQEPROIHD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">154.0629942</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</logp> <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>CHEM358703</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-methyl-3-oxocyclohexene-1-carboxylic acid</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" nil="true"/> <sync-id>CED0312862</sync-id> <structure-inchikey>KUWAUXQEPROIHD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000080000000008400000000000000000000000000000020040000000000000004000000000000000080000000000000000000000000000000000000000000000020000000000000000000000001000000000000010000000000000000000008000000020000000000000000000000000800000040000000040000000000000000000000000000000000000000000000000000000000000000000000081000000000000000000000000000000000000000000000000008000000000000000000000000000000002000200000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200102060009000000400820000000040080048000002420400000000c50000010008000000008010200800000042000a8008c20010480443000a0000084112400020000000092102000620100000001804000003200040420000009000c300004004002082000000040300000200080100005e0041108000000110002004400080c4000000800020088000008100c0032444014020004080000000000004100000800400000000800002ca01006c00002804108401000022000000210008000040400001201c00000040100800008000000004000000002000800810000100c0000000000000804000080200000100010004000020000020050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMGACgAAAAD BAYAKAAAAAMEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgA AAADAgYAKAAAAAMECAAoAAAAAwIIAGgAAAADAQELAAEAAQIoAgIDAAMEAAQF AAUGAAYHKAICCCAICSgCCAogBgEgQgEAAAAGAQYFBAMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:42Z</structure-indexed-at> </compound>