79943 <common-name>Ethyl 3,4,5,7-tetrahydro-3-oxoisoxazolo(5,4-c)pyridine-6(2H)-carboxylate</common-name> <description>Ethyl 3,4,5,7-tetrahydro-3-oxoisoxazolo(5,4-c)pyridine-6(2H)-carboxylate belongs to the isoxazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C9H12N2O4. The compound has an average molecular weight of 212.21 g/mol.</description> <cas>85118-32-7</cas> <pubchem-id>20562106</pubchem-id> <chemical-formula>C9H12N2O4</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">2026-04-04T15:13:58Z</created-at> <updated-at type="dateTime">2026-04-04T15:13:58Z</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)N1CCC2=C(C1)ONC2=O</moldb-smiles> <moldb-formula>C9H12N2O4</moldb-formula> <moldb-inchi>InChI=1S/C9H12N2O4/c1-2-14-9(13)11-4-3-6-7(5-11)15-10-8(6)12/h2-5H2,1H3,(H,10,12)</moldb-inchi> <moldb-inchikey>VCEIKKVLKZUXGH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.205</moldb-average-mass> <moldb-mono-mass type="decimal">212.079707</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15180230</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>CHEM075836</chemdb-id> <dsstox-id>DTXSID30234250</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038787</susdat-id> <iupac>ethyl 3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-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>Azoles</klass> <subklass>Isoxazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0104929</sync-id> <structure-inchikey>VCEIKKVLKZUXGH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>900000000000000010000000000000000000000000000000000002000020000002000040000000000000000000000000200000000200000000000000000000000000002000000420800000000100000000000002000000000000010000000000000000000000000080020100000000000000000000000000000040400000000000200000000000000000001000000000020000000800000000000000000000000000080000000000000080000000008000001000000000000000000000000000000000000000000000000000002000200000000000000000000000010000000000000000000400000020000000000000004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgcAKAAAAAMDBgBgAAAAAgIGAGAA AAACAgZAKAAAAAMEBkAoAAAAAwQGAGAAAAACAghAKAAAAAMCB0A4AAAAAwED BkAoAAAAAwQIACgAAAADAgsAAQABAgACAyADBCgCAwUgBQYABgcABwgACAlo DAkKAAkLaAwLDGgMDA1oDA0OKAIKBQANCGgMQgIAAAAGBQoJCAcGBQsJCA0M FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:59Z</structure-indexed-at> </compound>