9077 <common-name>Dichlorprop methyl ester</common-name> <description nil="true"/> <cas>57153-17-0</cas> <pubchem-id>90988</pubchem-id> <chemical-formula>C10H10Cl2O3</chemical-formula> <weight>249.09</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">2016-05-19T02:34:35Z</created-at> <updated-at type="dateTime">2026-08-17T21:02:38Z</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>COC(=O)C(C)OC1=C(Cl)C=C(Cl)C=C1</moldb-smiles> <moldb-formula>C10H10Cl2O3</moldb-formula> <moldb-inchi>InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3</moldb-inchi> <moldb-inchikey>SCHCPDWDIOTCMJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.09</moldb-average-mass> <moldb-mono-mass type="decimal">248.0006996</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <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>CHEM007972</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050846</susdat-id> <iupac>methyl 2-(2,4-dichlorophenoxy)propanoate</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>57.478400000000015</moldb-refractivity> <moldb-polarizability>23.273225760560024</moldb-polarizability> <moldb-rotatable-bond-count>4</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>-4.9563958310476535</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.49</moldb-alogps-logp> <moldb-alogps-logs>-3.58</moldb-alogps-logs> <moldb-alogps-solubility>6.56e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>2-phenoxypropionic acid esters</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0047874</sync-id> <structure-inchikey>SCHCPDWDIOTCMJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000002000000000200000000000010000400000000000080000000000000001000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000120008000000104000000000000000000000000010080000040000000100000000000001000000000000000000000000000000040000000000002000000400080000000000000400000000000000400000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������(������@(������@(������� �����@h�������@(������� �����@h�������@h������������ ��(������������ ��h�� �� h� �h����� h� �h���h�B������� � �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:36Z</structure-indexed-at> </compound>