45892 <common-name>3-(3-tert-butyl-4-hydroxyphenyl)propionic acid</common-name> <description nil="true"/> <cas>107551-67-7</cas> <pubchem-id>5463779</pubchem-id> <chemical-formula>C13H18O3</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">2016-06-03T12:34:22Z</created-at> <updated-at type="dateTime">2026-03-27T00:48:58Z</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>CC(C)(C)C1=C(O)C=CC(CCC(O)=O)=C1</moldb-smiles> <moldb-formula>C13H18O3</moldb-formula> <moldb-inchi>InChI=1S/C13H18O3/c1-13(2,3)10-8-9(4-6-11(10)14)5-7-12(15)16/h4,6,8,14H,5,7H2,1-3H3,(H,15,16)</moldb-inchi> <moldb-inchikey>FZQRSWHPNZTNQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">222.284</moldb-average-mass> <moldb-mono-mass type="decimal">222.12559444</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4576345</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>CHEM044787</chemdb-id> <dsstox-id>DTXSID20420180</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006821</stoff-ident-id> <susdat-id>NS00006451</susdat-id> <iupac>3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid</iupac> </compound>