45832 <common-name>propylphosphonic acid</common-name> <description nil="true"/> <cas>4672-38-2</cas> <pubchem-id>204484</pubchem-id> <chemical-formula>C3H9O3P</chemical-formula> <weight>124.08</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">2016-06-03T12:31:10Z</created-at> <updated-at type="dateTime">2026-08-22T13:54:45Z</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>CCCP(O)(O)=O</moldb-smiles> <moldb-formula>C3H9O3P</moldb-formula> <moldb-inchi>InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)</moldb-inchi> <moldb-inchikey>NSETWVJZUWGCKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">124.076</moldb-average-mass> <moldb-mono-mass type="decimal">124.028931148</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>177128</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>CHEM044727</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006747</stoff-ident-id> <susdat-id>NS00005426</susdat-id> <iupac>propylphosphonic acid</iupac> <moldb-polar-surface-area>57.53</moldb-polar-surface-area> <moldb-refractivity>26.5744</moldb-refractivity> <moldb-polarizability>10.756993675753396</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>1.810730668395526</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-0.07</moldb-alogps-logp> <moldb-alogps-logs>-0.55</moldb-alogps-logs> <moldb-alogps-solubility>3.53e+01 g/l</moldb-alogps-solubility> </compound>