81320 <common-name>3,4,5-Trimethoxyphenylacetic acid</common-name> <description>3,4,5-Trimethoxyphenylacetic acid belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is classified as a benzenoid with the formula C11H14O5 and an average molecular weight of 226.23 g/mol.</description> <cas>951-82-6</cas> <pubchem-id>70372</pubchem-id> <chemical-formula>C11H14O5</chemical-formula> <weight>226.23</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">2026-04-04T17:52:28Z</created-at> <updated-at type="dateTime">2026-08-18T10:42:44Z</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(CC(O)=O)=CC(OC)=C1OC</moldb-smiles> <moldb-formula>C11H14O5</moldb-formula> <moldb-inchi>InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)</moldb-inchi> <moldb-inchikey>DDSJXCGGOXKGSJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">226.228</moldb-average-mass> <moldb-mono-mass type="decimal">226.084124</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63553</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>CHEM077213</chemdb-id> <dsstox-id>DTXSID60241755</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040438</susdat-id> <iupac>2-(3,4,5-trimethoxyphenyl)acetic 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">31</paper-count> <sync-id>CED0026690</sync-id> <structure-inchikey>DDSJXCGGOXKGSJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000400000002000000000040400000000000004000000000000000000000000000000000000000000000000000000000000000020000000080100000000000000000000000000010000000040000000100000000020000000000000000000000000001000000040000000000000000000000000000000000000000002000000000000000000000000000000000000080000000000000000000000000000000000000080000000000000010000000000000000000000000000000000400020000000000000000000000000000040000800000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(�������`�������(�������h��������(������@h�������@(�������(�������`������@(�������(�������`����������� ��h���h��������� ��(�� h� h� � ��� h� � ��� �h�B������ ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:59Z</structure-indexed-at> </compound>