69270 <common-name>4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester</common-name> <description>4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C12H10O4 and an average molecular weight of 218.21 g/mol.</description> <cas>14736-31-3</cas> <pubchem-id>26861</pubchem-id> <chemical-formula>C12H10O4</chemical-formula> <weight>218.2</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">2026-04-03T14:47:04Z</created-at> <updated-at type="dateTime">2026-08-18T15:48:49Z</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>CCOC(=O)C1=CC(=O)C2=CC=CC=C2O1</moldb-smiles> <moldb-formula>C12H10O4</moldb-formula> <moldb-inchi>InChI=1S/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3</moldb-inchi> <moldb-inchikey>CJVFJZNWXDFXHF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.208</moldb-average-mass> <moldb-mono-mass type="decimal">218.057909</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>25021</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>CHEM065163</chemdb-id> <dsstox-id>DTXSID80163687</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024828</susdat-id> <iupac>ethyl 4-oxochromene-2-carboxylate</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">0</paper-count> <sync-id>CED0142279</sync-id> <structure-inchikey>CJVFJZNWXDFXHF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000050000000000000000000000000000080001002020020000000000004800000000000000000000000000000000000000000000000000000000000000000000020800000000100000000000000010000000000010000000000000000100000000000000000000000000000000000000000000040000000800000000080000000001000000100000000020000000000000000000000000000040000080000000000000000000000000000800000000000000000040000000800000000000000000000000000002000000220000000000000800000000000000040000000000400000080000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAo AAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQIQCgAAAADAgsAAQABAgACAyADBCgCAwUg BQZoDAYHaAwHCCgCBwloDAkKaAwKC2gMCwxoDAwNaAwNDmgMDg9oDA8FaAwO CWgMQgIAAAAGBQ8OCQcGBgoLDA0OCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:03Z</structure-indexed-at> </compound>