<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:04 UTC</creation_date>
  <update_date>2025-11-19 00:43:39 UTC</update_date>
  <accession>FDB014085</accession>
  <name>Ozone</name>
  <description>Antimicrobial agent used in the production of bottled waterand is) also used in the treatment of meat, poultry and other foodstuffs</description>
  <synonyms>
    <synonym>Oxygen, mol (O3)</synonym>
    <synonym>OZON</synonym>
    <synonym>Ozone</synonym>
    <synonym>Ozone heavy work</synonym>
    <synonym>Ozone heavy, moderate, or light workloads (&lt;2 hours)</synonym>
    <synonym>Ozone light work</synonym>
    <synonym>Ozone moderate work</synonym>
    <synonym>Ozone, 11CI</synonym>
    <synonym>Ozono</synonym>
    <synonym>Triatomic oxygen</synonym>
    <synonym>trioxid-2-en-2-ium-1-ide</synonym>
    <synonym>Trioxygen</synonym>
    <synonym>Trioxygene</synonym>
  </synonyms>
  <chemical_formula>O3</chemical_formula>
  <average_molecular_weight>47.9982</average_molecular_weight>
  <monisotopic_moleculate_weight>47.984743866</monisotopic_moleculate_weight>
  <iupac_name>trioxirane</iupac_name>
  <traditional_iupac>cyclic ozone</traditional_iupac>
  <cas_registry_number>10028-15-6</cas_registry_number>
  <smiles>O1OO1</smiles>
  <inchi>InChI=1S/O3/c1-2-3-1</inchi>
  <inchikey>XQOAKYYZMDCSIA-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.</description>
    <direct_parent>Other non-metal oxides</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Other non-metal organides</class>
    <sub_class>Other non-metal oxides</sub_class>
    <molecular_framework/>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Other non-metal oxide</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp -251°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.45</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-6.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>trioxirane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>47.9982</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>47.984743866</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O1OO1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/O3/c1-2-3-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>XQOAKYYZMDCSIA-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>34.29</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>4.05</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>2.22</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>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>137574</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>145308</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91059</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91060</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91061</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154365</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154366</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154367</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2575342</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2575343</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2575344</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>6918</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>6919</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB35409</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>25812</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce31fdfe58&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31fdfc50&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31fdfa70&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31fdf890&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31fdf688&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31fdf4a8&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
