14148 <common-name>2,3-Dichloropropanol</common-name> <description nil="true"/> <cas>616-23-9</cas> <pubchem-id nil="true"/> <chemical-formula>C3H6Cl2O</chemical-formula> <weight nil="true"/> <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">2016-05-19T04:06:46Z</created-at> <updated-at type="dateTime">2026-04-03T06:54:46Z</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>OCC(Cl)CCl</moldb-smiles> <moldb-formula>C3H6Cl2O</moldb-formula> <moldb-inchi>InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2</moldb-inchi> <moldb-inchikey>ZXCYIJGIGSDJQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">128.98</moldb-average-mass> <moldb-mono-mass type="decimal">127.9795702</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11523</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>CHEM013043</chemdb-id> <dsstox-id>DTXSID2024038</dsstox-id> <toxcast-id>24038</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>26.6181</moldb-refractivity> <moldb-polarizability>11.22074573003682</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.430109762953716</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.048069989684044</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.78</moldb-alogps-logp> <moldb-alogps-logs>-0.43</moldb-alogps-logs> <moldb-alogps-solubility>4.84e+01 g/l</moldb-alogps-solubility> </compound>