7693 <common-name>METHYL 2-FUROATE</common-name> <description nil="true"/> <cas>611-13-2</cas> <pubchem-id>11902</pubchem-id> <chemical-formula>C6H6O3</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">2016-05-19T02:15:34Z</created-at> <updated-at type="dateTime">2026-03-31T22:35:16Z</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)C1=CC=CO1</moldb-smiles> <moldb-formula>C6H6O3</moldb-formula> <moldb-inchi>InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3</moldb-inchi> <moldb-inchikey>HDJLSECJEQSPKW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">126.11</moldb-average-mass> <moldb-mono-mass type="decimal">126.031694058</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11408</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>CHEM006588</chemdb-id> <dsstox-id>DTXSID7060598</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012896</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>39.44</moldb-polar-surface-area> <moldb-refractivity>30.474200000000003</moldb-refractivity> <moldb-polarizability>11.957537890597644</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.0960575710944256</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.21</moldb-alogps-logp> <moldb-alogps-logs>-0.77</moldb-alogps-logs> <moldb-alogps-solubility>2.13e+01 g/l</moldb-alogps-solubility> </compound>