81796 <common-name>A-hydroxy-p-methoxytoluene-a-sulphonic acid</common-name> <description>A-hydroxy-p-methoxytoluene-a-sulphonic acid belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is classified as a benzenoid with the formula C8H10O5S. The compound has an average molecular weight of 218.22 g/mol.</description> <cas>81-12-9</cas> <pubchem-id>101542</pubchem-id> <chemical-formula>C8H10O5S</chemical-formula> <weight>218.23</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">2026-04-04T18:28:48Z</created-at> <updated-at type="dateTime">2026-08-24T11:44:37Z</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>COC1=CC=C(C=C1)C(O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C8H10O5S</moldb-formula> <moldb-inchi>InChI=1/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)</moldb-inchi> <moldb-inchikey>NDMUEXKPRHMWRH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.22</moldb-average-mass> <moldb-mono-mass type="decimal">218.0248944</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0</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>CHEM077689</chemdb-id> <dsstox-id>DTXSID60865672</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00041118</susdat-id> <iupac>hydroxy-(4-methoxyphenyl)methanesulfonic 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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0133736</sync-id> <structure-inchikey>NDMUEXKPRHMWRH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000100000000000000000000000000000000000000000100000000000000000000000200000020000000000000000000000000000000000000000000000000000000000008000000000004020000000000100000200000000000000040000010000010040000000000000000000000000000000004000000000000000000040000000000000000020000000000000000000000000000000000000000000000000000000000400080000000000000000000000080000000000000080000000000000000000000000000000000000000000000000000200000000000000000000000004000040000000080000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGAGAAAAADAQgAYAAAAAEBEAAgAAAABggAYAAAAAEBCAAoAAAA AwIIACgAAAADAgsAAQABAiACA2gMAwRoDAQFaAwFBmgMBgdoDAUIAAgJAAgK AAoLAAoMCAIKDQgCBwJoDEIBAAAABgIHBgUEAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:28:14Z</structure-indexed-at> </compound>