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<compound>
  <version>1.0</version>
  <creation_date>2026-08-18 17:58:37 UTC</creation_date>
  <update_date>2026-08-18 17:58:37 UTC</update_date>
  <accession/>
  <common_name>4-butoxycarbonylbenzoic acid</common_name>
  <class>SmallMolecule</class>
  <description>4-butoxycarbonylbenzoic acid is an organic compound with the chemical formula C12H14O4 and an average molecular weight of 222.24 g/mol. 4-butoxycarbonylbenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as part of the benzenoids superclass.

This compound has been identified in or released from five recorded sources. These sources include electrical and electronic equipment, specifically antennas, electric switches, emergency protective devices, power cables, and video games.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12H14O4</chemical_formula>
  <average_molecular_weight>222.24</average_molecular_weight>
  <monisotopic_moleculate_weight>222.0892089</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1818-06-0</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)</inchi>
  <inchikey>QLUQHFODHZKSDT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
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  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>222.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>222.0892089</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H14O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QLUQHFODHZKSDT-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74557</pubchem_compound_id>
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