<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:07:53 UTC</creation_date>
  <update_date>2026-04-05 15:42:08 UTC</update_date>
  <accession/>
  <common_name>Copper, [.mu.-[carbonato(2-)-O:O']]dihydroxydi-</common_name>
  <class>SmallMolecule</class>
  <description>Copper, [.mu.-[carbonato(2-)-O:O']]dihydroxydi- is a chemical compound with the formula CH2Cu2O5 and an average molecular weight of 221.11 g/mol. Copper, [.mu.-[carbonato(2-)-O:O']]dihydroxydi- belongs to the organic carbonic acids, a subclass of organic carbonic acids and derivatives within the organic compounds.

In industrial applications, this compound serves as a pigment, a preservative, and a biocide. It has been recorded as being released from antennas used in electrical and electronic equipment.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CH2Cu2O5</chemical_formula>
  <average_molecular_weight>221.114</average_molecular_weight>
  <monisotopic_moleculate_weight>219.849419</monisotopic_moleculate_weight>
  <iupac_name>dicopper(2+) ion dihydroxide carbonate</iupac_name>
  <traditional_iupac>dicopper(2+) ion dihydroxide carbonate</traditional_iupac>
  <cas_registry_number>12069-69-1</cas_registry_number>
  <smiles>[OH-].[OH-].[Cu++].[Cu++].[O-]C([O-])=O</smiles>
  <inchi>InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4</inchi>
  <inchikey>ZMMDPCMYTCRWFF-UHFFFAOYSA-J</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 copper salts</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic oxoanionic compounds</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 copper salt</substituent>
      <substituent>Organic hydroxide</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/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.41</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.37</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.53e+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>dicopper(2+) ion dihydroxide carbonate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>221.114</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>219.849419</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[OH-].[OH-].[Cu++].[Cu++].[O-]C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CH2Cu2O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZMMDPCMYTCRWFF-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>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:0x00007f7221ccd5e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>25503</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
