<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:26:50 UTC</creation_date>
  <update_date>2026-08-19 18:02:27 UTC</update_date>
  <accession/>
  <common_name>1,3-Isobenzofurandione, 5,5'-oxybis-</common_name>
  <class>SmallMolecule</class>
  <description>1,3-Isobenzofurandione, 5,5'-oxybis- is an organic compound with the formula C16H6O7 and an average molecular weight of 310.22 g/mol. 1,3-Isobenzofurandione, 5,5'-oxybis- belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance is associated with 10 recorded sources across various sectors. In the category of electrical and electronic equipment, it is found in or released from antennas, coils, cores yokes or armatures, electric switches, and power cables, among one other source. Within building and construction, it is identified in ceilings and floors. Additionally, the compound is linked to household cleaning and consumer products, specifically cigar cigarettes, as well as food, food processing and cookware, where it is associated with fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>5,5'-Oxybis(2-benzofuran-1,3-dione)</synonym>
    <synonym>5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-1,3-dihydro-2-benzofuran-1,3-dione</synonym>
  </synonyms>
  <chemical_formula>C16H6O7</chemical_formula>
  <average_molecular_weight>310.217</average_molecular_weight>
  <monisotopic_moleculate_weight>310.011352533</monisotopic_moleculate_weight>
  <iupac_name>5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-1,3-dihydro-2-benzofuran-1,3-dione</iupac_name>
  <traditional_iupac>5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione</traditional_iupac>
  <cas_registry_number>1823-59-2</cas_registry_number>
  <smiles>O=C1OC(=O)C2=C1C=CC(OC1=CC3=C(C=C1)C(=O)OC3=O)=C2</smiles>
  <inchi>InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H</inchi>
  <inchikey>QQGYZOYWNCKGEK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Tetracarboxylic acids and derivatives</sub_class>
    <direct_parent>Tetracarboxylic acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Carboxylic acid anhydrides</alternative_parent>
      <alternative_parent>Diarylethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Isobenzofuranones</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Phthalic anhydrides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Benzofuranone</substituent>
      <substituent>Carboxylic acid anhydride</substituent>
      <substituent>Diaryl ether</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Isobenzofuranone</substituent>
      <substituent>Isocoumaran</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Phthalic anhydride</substituent>
      <substituent>Phthalic_anhydride</substituent>
      <substituent>Tetracarboxylic acid or derivatives</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <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>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.44</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.16e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>5-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-1,3-dihydro-2-benzofuran-1,3-dione</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>310.217</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>310.011352533</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C1OC(=O)C2=C1C=CC(OC1=CC3=C(C=C1)C(=O)OC3=O)=C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H6O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QQGYZOYWNCKGEK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>95.97</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>74.91</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>27.25</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</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>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74574</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>67152</chemspider_id>
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</compound>
