<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">6111</id>
  <title nil="true"/>
  <common-name>CARBOXYMETHYL CELLULOSE</common-name>
  <description nil="true"/>
  <cas>9000-11-7</cas>
  <pubchem-id>24748</pubchem-id>
  <chemical-formula>C8H16NaO8</chemical-formula>
  <weight>240.21</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">2016-05-19T01:57:11Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:34:05Z</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>DB11059</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].CC(O)=O.OCC(O)C(O)C(O)C(O)C=O</moldb-smiles>
  <moldb-formula>C8H16NaO8</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);</moldb-inchi>
  <moldb-inchikey>DPXJVFZANSGRMM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">263.198</moldb-average-mass>
  <moldb-mono-mass type="decimal">263.07428676</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM005006</chemdb-id>
  <dsstox-id>DTXSID7040441</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00078673</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>118.22000000000001</moldb-polar-surface-area>
  <moldb-refractivity>37.3456</moldb-refractivity>
  <moldb-polarizability>16.242510253920898</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.256455078919489</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.974219876255926</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-2.41</moldb-alogps-logp>
  <moldb-alogps-logs>0.16</moldb-alogps-logs>
  <moldb-alogps-solubility>2.61e+02 g/l</moldb-alogps-solubility>
</compound>
