91416 <common-name>Tricyclo[2.2.1.02,6]hept-3-yl phenyl ketone</common-name> <description>Tricyclo[2.2.1.02,6]hept-3-yl phenyl ketone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C14H14O and an average molecular weight of 198.26 g/mol.</description> <cas>58313-69-2</cas> <pubchem-id>94017</pubchem-id> <chemical-formula>C14H14O</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">2026-04-05T00:50:10Z</created-at> <updated-at type="dateTime">2026-04-05T00:50:10Z</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>O=C(C1C2C3CC1CC23)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H14O</moldb-formula> <moldb-inchi>InChI=1/C14H14O/c15-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)13(10)12/h1-5,9-13H,6-7H2</moldb-inchi> <moldb-inchikey>QJCNHRCIFVUZNR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.265</moldb-average-mass> <moldb-mono-mass type="decimal">198.1044651</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>CHEM087309</chemdb-id> <dsstox-id>DTXSID90973855</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052689</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">0</paper-count> <sync-id>CED0082789</sync-id> <structure-inchikey>QJCNHRCIFVUZNR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000004000000000000000000000000800000000000000000000000400000001200000020000000000000000000000000000000000000010000000000020050000000000000020000000000000000000000100000000000000000800000000000000000000000000100000000000000000000000800000800000000000000084000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000200000010000040000000000000000040000000000400000000000000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEgAAAIABCAAoAAAAAwIGACgAAAAD BAYAYAAAAAMBBgBgAAAAAwEGAGAAAAADAQYAYAAAAAICBgBgAAAAAwEGAGAA AAACAgYAYAAAAAMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwELAAEoAgECAAIDAAMEAAQFAAUGAAYHAAcI AAEJIAkKaAwKC2gMCwxoDAwNaAwNDmgMBgIADgloDAgDAAgEAEIFAAAAAwME CAUFBAMCBgUFBAgHBgYKCwwNDgkFBwYCAwgXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:50Z</structure-indexed-at> </compound>