81063 <common-name>1,3-Benzodioxole-4-butanoic acid</common-name> <description>1,3-Benzodioxole-4-butanoic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C11H12O4 and an average molecular weight of 208.21 g/mol.</description> <cas>94135-98-5</cas> <pubchem-id>12130142</pubchem-id> <chemical-formula>C11H12O4</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">2026-04-04T17:04:37Z</created-at> <updated-at type="dateTime">2026-04-04T17:04:37Z</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(=O)CCCC1=C2OCOC2=CC=C1</moldb-smiles> <moldb-formula>C11H12O4</moldb-formula> <moldb-inchi>InChI=1S/C11H12O4/c12-10(13)6-2-4-8-3-1-5-9-11(8)15-7-14-9/h1,3,5H,2,4,6-7H2,(H,12,13)</moldb-inchi> <moldb-inchikey>LQOVFVGJOQVSNS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.213</moldb-average-mass> <moldb-mono-mass type="decimal">208.073559</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21166911</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>CHEM076956</chemdb-id> <dsstox-id>DTXSID30240775</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040149</susdat-id> <iupac>4-(1,3-benzodioxol-4-yl)butanoic 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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0150471</sync-id> <structure-inchikey>LQOVFVGJOQVSNS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000004000000000000400002000000000000000000000000000000000000000000000020800000000000010000000000000000000000010000000000000000000000000000020000000000000000000000000001000001000000800002000000000000000000000000000000001000000000010200000000000004000000080080000000000000000000004000000000010000000008000000040000000000000000000000000000000000440200000000000080000000000000010040000000410400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkAo AAAAAwQIACgAAAADAgYAYAAAAAICCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQsAASABAigCAQMAAwQABAUABQYABgdoDAcI IAgJAAkKAAoLIAsMaAwMDWgMDQ5oDA4GaAwLB2gMQgIAAAAGBg4NDAsHBQgH CwoJFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:49Z</structure-indexed-at> </compound>