68962 <common-name>2,5-Xylylacetic acid</common-name> <description>2,5-Xylylacetic acid belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C10H12O2. The compound has an average molecular weight of 164.20 g/mol.</description> <cas>13612-34-5</cas> <pubchem-id>83615</pubchem-id> <chemical-formula>C10H12O2</chemical-formula> <weight>164.2</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">2026-04-03T14:17:26Z</created-at> <updated-at type="dateTime">2026-08-17T23:45:32Z</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>CC1=CC(CC(O)=O)=C(C)C=C1</moldb-smiles> <moldb-formula>C10H12O2</moldb-formula> <moldb-inchi>InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>RUSCTNYOPQOXDJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.204</moldb-average-mass> <moldb-mono-mass type="decimal">164.08373</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>75441</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>CHEM064855</chemdb-id> <dsstox-id>DTXSID60159669</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024410</susdat-id> <iupac>2-(2,5-dimethylphenyl)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>Benzene and substituted derivatives</klass> <subklass>Xylenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117612</sync-id> <structure-inchikey>RUSCTNYOPQOXDJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000400000001000000000000000000000040000000000000004000000000000000000000000000000040000000000000000000000000000000020000000000000000000000000000000000000010000000000000000100000000020000000000000000000000004000000000040000000000000000000000000000000000000000000000000000000000000000000000004000020080100000000000000000000000000000000000000000000000000000000000000000000002000100000002000400200000000000000000100000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(�������`�������(�������h��������(������@(�������`������@h�������@h������������h���h��������� ��(���h�� �� h� �h���h�B������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:50Z</structure-indexed-at> </compound>