<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:03 UTC</creation_date>
  <update_date>2025-11-18 23:19:04 UTC</update_date>
  <accession>FDB010279</accession>
  <name>Sodium sesquicarbonate</name>
  <description>It is used as a food additive .</description>
  <synonyms>
    <synonym>Carbonic acid, sodium salt (2:3)</synonym>
    <synonym>Trisodium hydrogendicarbonate</synonym>
  </synonyms>
  <chemical_formula>C2Na3O6</chemical_formula>
  <average_molecular_weight>188.9871</average_molecular_weight>
  <monisotopic_moleculate_weight>188.938796757</monisotopic_moleculate_weight>
  <iupac_name>trisodium dicarbonate</iupac_name>
  <traditional_iupac>trisodium dicarbonate</traditional_iupac>
  <cas_registry_number>533-96-0</cas_registry_number>
  <smiles>[Na].[Na].[Na].[O-]C([O-])=O.[O-]C([O-])=O</smiles>
  <inchi>InChI=1S/2CH2O3.3Na.3H/c2*2-1(3)4;;;;;;/h2*(H2,2,3,4);;;;;;/p-4</inchi>
  <inchikey>ASSSVEAZABOIBE-UHFFFAOYSA-J</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.25</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>6.05</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>trisodium dicarbonate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>188.9871</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>188.938796757</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na].[Na].[Na].[O-]C([O-])=O.[O-]C([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C2Na3O6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2CH2O3.3Na.3H/c2*2-1(3)4;;;;;;/h2*(H2,2,3,4);;;;;;/p-4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>ASSSVEAZABOIBE-UHFFFAOYSA-J</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>63.19</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>31.17</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>3.52</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>-4</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
