<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">8599</id>
  <title nil="true"/>
  <common-name>SODIUM CARBONATE</common-name>
  <description nil="true"/>
  <cas>497-19-8</cas>
  <pubchem-id>151402</pubchem-id>
  <chemical-formula>CH2NaO3</chemical-formula>
  <weight>286.14</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">2016-05-19T02:26:20Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:06:05Z</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>DB09460</drugbank-id>
  <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>[Na+].OC(O)=O</moldb-smiles>
  <moldb-formula>CH2NaO3</moldb-formula>
  <moldb-inchi>InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1</moldb-inchi>
  <moldb-inchikey>UIIMBOGNXHQVGW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">85.013</moldb-average-mass>
  <moldb-mono-mass type="decimal">84.98961462</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.25</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>CHEM007494</chemdb-id>
  <dsstox-id>DTXSID2052285</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00134321</susdat-id>
  <iupac>disodium carbonate</iupac>
  <moldb-polar-surface-area>57.53</moldb-polar-surface-area>
  <moldb-refractivity>9.4982</moldb-refractivity>
  <moldb-polarizability>4.2300133967078954</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>6.052541895520343</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>0.60</moldb-alogps-logp>
  <moldb-alogps-logs>0.57</moldb-alogps-logs>
  <moldb-alogps-solubility>2.31e+02 g/l</moldb-alogps-solubility>
</compound>
