89313 <common-name>A-hydroxy-1,3-benzodioxole-5-acetic acid</common-name> <description>A-hydroxy-1,3-benzodioxole-5-acetic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C9H8O5 and an average molecular weight of 196.16 g/mol.</description> <cas>27738-46-1</cas> <pubchem-id>119618</pubchem-id> <chemical-formula>C9H8O5</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">2026-04-04T23:37:20Z</created-at> <updated-at type="dateTime">2026-04-04T23:37:20Z</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>OC(C(O)=O)C1=CC2=C(OCO2)C=C1</moldb-smiles> <moldb-formula>C9H8O5</moldb-formula> <moldb-inchi>InChI=1/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)</moldb-inchi> <moldb-inchikey>CLUJFRCEPFNVHW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">196.158</moldb-average-mass> <moldb-mono-mass type="decimal">196.0371734</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>CHEM085206</chemdb-id> <dsstox-id>DTXSID60950431</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050176</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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0177934</sync-id> <structure-inchikey>CLUJFRCEPFNVHW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000100000000000000000000000000000800000000004000000000000400000000000000000000000000000000000000000000000000020800000000000000000002000000000000000010000000000000000100000000000020000000000000000000000000010000000800000000000000000000000000000000000000000000000000000000000000000000004000400080000000000000000000000000000000000008000000000000000000000000000010000000000000000000000000200000000000080000000000804010040000000400400000000000000001000000000040000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABCABgAAAAAQEGAGAAAAAD AQYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZA KAAAAAMEBkAoAAAAAwQIACgAAAADAgYAYAAAAAICCAAoAAAAAwIGQGgAAAAD AwEGQGgAAAADAwELAAEAAQIAAgMgAgQoAgEFAAUGaAwGB2gMBwhoDAgJIAkK AAoLAAgMaAwMDWgMDQVoDAsHIEICAAAABgUNDAgHBgUJCAcLChcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:37Z</structure-indexed-at> </compound>