45591 <common-name>RM257; -methylbenzene-1,4-diyl bis{4-[3-(acryloyloxy)propoxy]benzoate}</common-name> <description nil="true"/> <cas>174063-87-7</cas> <pubchem-id>20807398</pubchem-id> <chemical-formula>C33H32O10</chemical-formula> <weight>588.6</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">2016-06-03T12:17:53Z</created-at> <updated-at type="dateTime">2026-04-17T15:47:27Z</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(OC(=O)C2=CC=C(OCCCOC(=O)C=C)C=C2)=CC=C1OC(=O)C1=CC=C(OCCCOC(=O)C=C)C=C1</moldb-smiles> <moldb-formula>C33H32O10</moldb-formula> <moldb-inchi>InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3</moldb-inchi> <moldb-inchikey>ISSYGWIDLYOJEN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">588.609</moldb-average-mass> <moldb-mono-mass type="decimal">588.19954723</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>19645428</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>CHEM044486</chemdb-id> <dsstox-id>DTXSID20609877</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006436</stoff-ident-id> <susdat-id>NS00003032</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>123.66000000000003</moldb-polar-surface-area> <moldb-refractivity>157.54520000000005</moldb-refractivity> <moldb-polarizability>64.41839635932752</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.5532420674259635</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>5.35</moldb-alogps-logp> <moldb-alogps-logs>-6.73</moldb-alogps-logs> <moldb-alogps-solubility>1.10e-04 g/l</moldb-alogps-solubility> </compound>