<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:06:10 UTC</creation_date>
  <update_date>2026-05-14 19:36:10 UTC</update_date>
  <accession/>
  <common_name>FERROUS CARBONATE</common_name>
  <class>SmallMolecule</class>
  <description>Ferrous carbonate is a chemical compound with the formula CFeO3 and an average molecular weight of 115.85 g/mol. FERROUS CARBONATE belongs to the organic carbonic acids, a subclass of organic carbonic acids and derivatives within the organic compounds.

This substance is found in or released from 25 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, auxiliary devices, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials, among 11 other sources. In the realm of household cleaning and consumer products, it is identified in soap detergents, tobacco product cases, pipe accessories, cigar cigarettes, and non electric simulated smoking devices. Additionally, the compound is linked to food, food processing and cookware, specifically in food preservation and fermentation processes for beer, as well as the preparation of wine or sparkling wine. In the building and construction sector, ferrous carbonate is found in ceilings.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Iron(II) carbonate (FeCO3)</synonym>
  </synonyms>
  <chemical_formula>CFeO3</chemical_formula>
  <average_molecular_weight>115.854</average_molecular_weight>
  <monisotopic_moleculate_weight>115.919685999</monisotopic_moleculate_weight>
  <iupac_name>λ²-iron(2+) ion carbonate</iupac_name>
  <traditional_iupac>λ²-iron(2+) ion carbonate</traditional_iupac>
  <cas_registry_number>563-71-3</cas_registry_number>
  <smiles>[Fe++].[O-]C([O-])=O</smiles>
  <inchi>InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2</inchi>
  <inchikey>RAQDACVRFCEPDA-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic carbonic acids and derivatives</class>
    <sub_class>Organic carbonic acids</sub_class>
    <direct_parent>Organic carbonic acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonate salts</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic transition metal salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonate salt</substituent>
      <substituent>Carbonic acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organic transition metal salt</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>carbonate mineral</descriptor>
      <descriptor>carbonate salt</descriptor>
      <descriptor>iron molecular entity</descriptor>
      <descriptor>one-carbon compound</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.25</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.42</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.35</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.51e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <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>λ²-iron(2+) ion carbonate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>115.854</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>115.919685999</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Fe++].[O-]C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CFeO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RAQDACVRFCEPDA-UHFFFAOYSA-L</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>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bcfdbdc08&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13698</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11248</pubchem_compound_id>
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</compound>
