18724 <common-name>Sodium 2-phenylphenate tetrahydrate</common-name> <description nil="true"/> <cas>6152-33-6</cas> <pubchem-id>517383</pubchem-id> <chemical-formula>C12H17NaO5</chemical-formula> <weight>264.25</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">2016-05-22T04:29:57Z</created-at> <updated-at type="dateTime">2026-04-17T17:58:13Z</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>O.O.O.O.[Na+].[O-]C1=CC=CC=C1C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H17NaO5</moldb-formula> <moldb-inchi>InChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h1-9,13H;;4*1H2/q;+1;;;;/p-1</moldb-inchi> <moldb-inchikey>SEVSIOOUCUTMMP-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">264.253</moldb-average-mass> <moldb-mono-mass type="decimal">264.09736793</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM017619</chemdb-id> <dsstox-id>DTXSID1040794</dsstox-id> <toxcast-id>40794</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>23.06</moldb-polar-surface-area> <moldb-refractivity>63.72540000000001</moldb-refractivity> <moldb-polarizability>18.42316905022819</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>9.694701154115933</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.581792442774259</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.80</moldb-alogps-logp> <moldb-alogps-logs>-3.06</moldb-alogps-logs> <moldb-alogps-solubility>1.67e-01 g/l</moldb-alogps-solubility> </compound>