<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:19:51 UTC</creation_date>
  <update_date>2026-04-05 12:17:39 UTC</update_date>
  <accession/>
  <common_name>Coal, anthracite, calcined</common_name>
  <class>SmallMolecule</class>
  <description>Coal, anthracite, calcined is a chemical compound with the formula CH2O3 and an average molecular weight of 62.02 g/mol. Coal, anthracite, calcined 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 11 recorded sources. Within the building and construction sector, it is associated with ceilings, fencing, floors, roofs, stairs and ramps, and three additional sources. Furthermore, it is present in electrical and electronic equipment, specifically in amplifiers, antennas, and adjustable resistors.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Carbonic acid</synonym>
    <synonym>Kaolin, calcined</synonym>
    <synonym>Kieselguhr, calcined</synonym>
  </synonyms>
  <chemical_formula>CH2O3</chemical_formula>
  <average_molecular_weight>62.0248</average_molecular_weight>
  <monisotopic_moleculate_weight>62.00039393</monisotopic_moleculate_weight>
  <iupac_name>carbonic acid</iupac_name>
  <traditional_iupac>carbonic acid</traditional_iupac>
  <cas_registry_number>68187-59-7</cas_registry_number>
  <smiles>OC(O)=O</smiles>
  <inchi>InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)</inchi>
  <inchikey>BVKZGUZCCUSVTD-UHFFFAOYSA-N</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>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonic acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>a small molecule</descriptor>
      <descriptor>carbon oxoacid</descriptor>
      <descriptor>chalcocarbonic acid</descriptor>
    </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>0.60</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.57</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.31e+02 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>carbonic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>62.0248</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>62.00039393</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CH2O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BVKZGUZCCUSVTD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>57.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>9.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>4.23</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>2</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:0x00007f7225d850b0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>767</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <uniprot_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
