8987 <common-name>Crotoxyphos</common-name> <description nil="true"/> <cas>7700-17-6</cas> <pubchem-id>5371578</pubchem-id> <chemical-formula>C14H19O6P</chemical-formula> <weight>314.27</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">2016-05-19T02:31:38Z</created-at> <updated-at type="dateTime">2026-08-19T06:46:56Z</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>[H]\C(=C(\C)OP(=O)(OC)OC)C(=O)OC(C)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H19O6P</moldb-formula> <moldb-inchi>InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+</moldb-inchi> <moldb-inchikey>XXXSILNSXNPGKG-ZHACJKMWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">314.274</moldb-average-mass> <moldb-mono-mass type="decimal">314.09192533</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4522061</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>CHEM007882</chemdb-id> <dsstox-id>DTXSID6037514</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003447</susdat-id> <iupac>1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate</iupac> <moldb-polar-surface-area>71.06000000000002</moldb-polar-surface-area> <moldb-refractivity>78.7262</moldb-refractivity> <moldb-polarizability>29.49350842102955</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.918832277625969</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.10</moldb-alogps-logp> <moldb-alogps-logs>-2.76</moldb-alogps-logs> <moldb-alogps-solubility>5.42e-01 g/l</moldb-alogps-solubility> </compound>