286467 <common-name>6,8-dimethyl-4-oxochromene-3-carbonitrile</common-name> <description>6,8-dimethyl-4-oxochromene-3-carbonitrile belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is an organoheterocyclic compound with the chemical formula C12H9NO2. The average molecular weight of this substance is 199.20 g/mol.</description> <cas>50743-40-3</cas> <pubchem-id>1268077</pubchem-id> <chemical-formula>C12H9NO2</chemical-formula> <weight>199.2</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">2026-08-27T22:38:52Z</created-at> <updated-at type="dateTime">2026-08-27T22:38:52Z</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>CC1=CC(=C2C(=C1)C(=O)C(=CO2)C#N)C</moldb-smiles> <moldb-formula>C12H9NO2</moldb-formula> <moldb-inchi>InChI=1S/C12H9NO2/c1-7-3-8(2)12-10(4-7)11(14)9(5-13)6-15-12/h3-4,6H,1-2H3</moldb-inchi> <moldb-inchikey>CHVJARAANPAZMS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">199.0633285</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM282360</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>6,8-dimethyl-4-oxochromene-3-carbonitrile</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>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0238270</sync-id> <structure-inchikey>CHVJARAANPAZMS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000080000000000000000000000000020000000000040000080000000000000000000000000000000000400000000000000000000000000000020800020000000000000008000200000000200000000002000000000100000000000000000000000000000000000000000000040000000000000002000800000000000200000000000400000000000000000000000000000042000088100000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000100000000020040000000000000020000400000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZA KAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQhAKAAAAAMCBgAoAAAA AgQHACgAAAACAwYAYAAAAAEDCwABAAECaAwCA2gMAwRoDAQFaAwFBmgMBQdo DAcIKAIHCWgMCQpoDAoLaAwJDCAMDSgDAw4ABgFoDAsEaAxCAgAAAAYBBgUE AwIGBwkKCwQFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:06Z</structure-indexed-at> </compound>