86289 <common-name>Cyclohexa-2,5-diene-1-carboxylic acid</common-name> <description>Cyclohexa-2,5-diene-1-carboxylic acid belongs to the carboxylic acids, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C7H8O2 and an average molecular weight of 124.14 g/mol.</description> <cas>4794-04-1</cas> <pubchem-id>78522</pubchem-id> <chemical-formula>C7H8O2</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">2026-04-04T21:24:30Z</created-at> <updated-at type="dateTime">2026-04-04T21:24:30Z</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>OC(=O)C1C=CCC=C1</moldb-smiles> <moldb-formula>C7H8O2</moldb-formula> <moldb-inchi>InChI=1/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,8,9)</moldb-inchi> <moldb-inchikey>SITZRXZBFQSDJO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">124.139</moldb-average-mass> <moldb-mono-mass type="decimal">124.0524295</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>CHEM082182</chemdb-id> <dsstox-id>DTXSID20197360</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046587</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acids</subklass> <paper-count type="integer">4</paper-count> <sync-id>CED0043420</sync-id> <structure-inchikey>SITZRXZBFQSDJO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000001000040000000000000000008000000000000000000000000000000000000004000000000000000000000000000000000000000000020000000000000000000020000000000000000000000000000000000000010000000000000000000000000000020000000000000000000000100000000000000010000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000040000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200002060008000000000020000000000000040000002000400000000440000000008000000000010000800000042000a4008c20010000442000a0000080110000020000000000002000620100000001004000002200000020000009000c3000040000020100100000402000002000801000046004110800000011000200440000044000000a00000088000000100c00024440000000040800000000000041000000004000000008000024001002c00000004008400000000000000010000100040400000001800000000000000004000000004000000000000800000000000c0000000000000004000004000000000000004000020000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACQAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAYAAAAAMBBgBoAAAAAwMBBgBoAAAAAwMBBgBgAAAAAgIG AGgAAAADAwEGAGgAAAADAwELAAEgAQIoAgEDAAMEAAQFCAIFBgAGBwAHCAgC CAMAQgEAAAAGAwgHBgUEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:47Z</structure-indexed-at> </compound>