364753 <common-name>(5e)-5-(1-hydroxypropylidene)-2-methyl-6-oxo-2h-1,4-oxazine-3-carboxylic acid</common-name> <description>(5e)-5-(1-hydroxypropylidene)-2-methyl-6-oxo-2h-1,4-oxazine-3-carboxylic acid is a chemical compound with the formula C9H11NO5. It has an average molecular weight of 213.19 g/mol.</description> <cas>87979-96-2</cas> <pubchem-id>54708739</pubchem-id> <chemical-formula>C9H11NO5</chemical-formula> <weight>213.19</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">2026-09-01T15:01:19Z</created-at> <updated-at type="dateTime">2026-09-01T15:01:19Z</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>CCC(=C1C(=O)OC(C(=N1)C(=O)O)C)O</moldb-smiles> <moldb-formula>C9H11NO5</moldb-formula> <moldb-inchi>InChI=1S/C9H11NO5/c1-3-5(11)7-9(14)15-4(2)6(10-7)8(12)13/h4,11H,3H2,1-2H3,(H,12,13)/b7-5+</moldb-inchi> <moldb-inchikey>NZFNHGHLLHWQHD-FNORWQNLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">213.0637225</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM360646</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>(5e)-5-(1-hydroxypropylidene)-2-methyl-6-oxo-2h-1,4-oxazine-3-carboxylic acid</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0314726</sync-id> <structure-inchikey>NZFNHGHLLHWQHD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000008000000000000001000000000000000000002000022000000000000002004000000000000000080000000000000000000000000000000000000000000000020800000000000000000000002000000000000010000000000000000000000200000010020000000000000000000100040000040000000800000000000000000000000000000000000000000000000000000040000100000000000080000000080000000000000000000000000000000000000000080000000000000002000000000000000000000000000000000000000000000000000000200000000000400000003000000000004000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMEBgAoAAAAAwQGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAA AAADAQYAKAAAAAMEBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCCABoAAAAAwEB BgBgAAAAAQMIAGgAAAADAQELAAEAAQIAAgMoAgMEIAQFKAIEBiAGBwAHCAAI CSgCCAogCgsoAgoMIAcNAAIOIAkDIEIBAAAABgMJCAcGBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:03Z</structure-indexed-at> </compound>