11647 <common-name>Bisphenol A diglycidyl ether</common-name> <description nil="true"/> <cas>1675-54-3</cas> <pubchem-id>2286</pubchem-id> <chemical-formula>C10H8N2O3</chemical-formula> <weight>340.4</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">2016-05-19T03:23:58Z</created-at> <updated-at type="dateTime">2026-05-14T19:40:25Z</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>DB14083</drugbank-id> <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(=C2N=CC=CC2=C1)N(=O)=O</moldb-smiles> <moldb-formula>C10H8N2O3</moldb-formula> <moldb-inchi>InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3</moldb-inchi> <moldb-inchikey>MIMUSZHMZBJBPO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">204.185</moldb-average-mass> <moldb-mono-mass type="decimal">204.053492126</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.02</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2199</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>CHEM010542</chemdb-id> <dsstox-id>DTXSID6024624</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006998</susdat-id> <iupac>2-{[4-(2-{4-[(oxiran-2-yl)methoxy]phenyl}propan-2-yl)phenoxy]methyl}oxirane</iupac> <moldb-polar-surface-area>67.94</moldb-polar-surface-area> <moldb-refractivity>53.7672</moldb-refractivity> <moldb-polarizability>19.33302351420415</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>1.70649640036894</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.90</moldb-alogps-logp> <moldb-alogps-logs>-2.33</moldb-alogps-logs> <moldb-alogps-solubility>9.59e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> </compound>