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<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 16:24:50 UTC</creation_date>
  <update_date>2026-04-04 16:24:50 UTC</update_date>
  <accession/>
  <common_name>Acetylphthalic acid</common_name>
  <class>SmallMolecule</class>
  <description>Acetylphthalic acid belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C10H8O5 and an average molecular weight of 208.17 g/mol. It is further classified as an organic oxygen compound.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,2-Benzenedicarboxylic acid, 3-acetyl-</synonym>
    <synonym>3-ACETYLBENZENE-1,2-DICARBOXYLIC ACID</synonym>
    <synonym>3-Acetylphthalic acid</synonym>
    <synonym>300-420-7</synonym>
    <synonym>acetylphthalic acid</synonym>
  </synonyms>
  <chemical_formula>C10H8O5</chemical_formula>
  <average_molecular_weight>208.169</average_molecular_weight>
  <monisotopic_moleculate_weight>208.037173</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>93940-26-2</cas_registry_number>
  <smiles>CC(=O)C1=C(C(O)=O)C(=CC=C1)C(O)=O</smiles>
  <inchi>InChI=1S/C10H8O5/c1-5(11)6-3-2-4-7(9(12)13)8(6)10(14)15/h2-4H,1H3,(H,12,13)(H,14,15)</inchi>
  <inchikey>QFNYIIZQJHOGII-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <sub_class/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
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  <state/>
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  <experimental_properties/>
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    <property>
      <kind>average_mass</kind>
      <value>208.169</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>208.037173</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=O)C1=C(C(O)=O)C(=CC=C1)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H8O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H8O5/c1-5(11)6-3-2-4-7(9(12)13)8(6)10(14)15/h2-4H,1H3,(H,12,13)(H,14,15)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QFNYIIZQJHOGII-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>3022968</pubchem_compound_id>
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  <chemspider_id>2289311</chemspider_id>
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