87873 <common-name>Sodium a,4-dihydroxy-3-methoxytoluene-a-sulphonate</common-name> <description>Sodium a,4-dihydroxy-3-methoxytoluene-a-sulphonate belongs to the methoxyphenols, a subclass of phenols within the organic compounds. It is classified as a benzenoid with the chemical formula C8H10O6S. The compound has an average molecular weight of 256.20 g/mol.</description> <cas nil="true"/> <pubchem-id>86880</pubchem-id> <chemical-formula>C8H10O6S</chemical-formula> <weight>234.23</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">2026-04-04T22:26:26Z</created-at> <updated-at type="dateTime">2026-09-01T12:13:39Z</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>[Na+].COC1=CC(=CC=C1O)C(O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C8H10O6S</moldb-formula> <moldb-inchi>InChI=1/C8H10O6S.Na/c1-14-7-4-5(2-3-6(7)9)8(10)15(11,12)13;/h2-4,8-10H,1H3,(H,11,12,13);/q;+1/p-1</moldb-inchi> <moldb-inchikey>GRLMAXWKMVTJTM-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">256.2</moldb-average-mass> <moldb-mono-mass type="decimal">234.019809</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.3</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>CHEM083766</chemdb-id> <dsstox-id>DTXSID90884891</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048513</susdat-id> <iupac>hydroxy-(4-hydroxy-3-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>Phenols</klass> <subklass>Methoxyphenols</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0102191</sync-id> <structure-inchikey>GRLMAXWKMVTJTM-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000100000000000000000000000000000000000000000100000400000000000000000000000020000000000000000000000008000000000000000000000000000000000000000020000000020000000000100001000000000000000000000014000000040000000100000000000000000000000000000000000000000000040000000000000000000000000008000000000040000000000000000000000040000000000000400080000000000000000000008180000000000000080800000000000002100000000000000000000000000000000000200000000000000000000000004000040020000000000000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAADwAAAIABCyAKAAAAAQEGAGAAAAAB AwgAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMECABoAAAAAwEBBgBgAAAAAwEIAGAAAAABARAAIAAA AAYIICIAAAD/AQgAKAAAAAMCCAAoAAAAAwILAQIAAgMgAwRoDAQFaAwFBmgM BgdoDAcIaAwICSAFCgAKCwAKDAAMDQAMDggCDA8IAggDaAxCAQAAAAYDCAcG BQQXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:31:43Z</structure-indexed-at> </compound>