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<compound>
  <version>1.0</version>
  <creation_date>2026-08-23 18:29:24 UTC</creation_date>
  <update_date>2026-08-23 18:29:24 UTC</update_date>
  <accession/>
  <common_name>Hepta-1,6-diene</common_name>
  <class>SmallMolecule</class>
  <description>Hepta-1,6-diene is an organic compound with the chemical formula C7H12 and an average molecular weight of 96.17 g/mol. Hepta-1,6-diene belongs to the olefins, a subclass of unsaturated hydrocarbons within the organic compounds.

This compound is found in or released from four recorded sources. Within the category of food, food processing, and cookware, it is associated with processing meats and fermentation processes for beer. Additionally, it is linked to electrical and electronic equipment, specifically power cables and fixed capacitors and their manufacture.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C7H12</chemical_formula>
  <average_molecular_weight>96.17</average_molecular_weight>
  <monisotopic_moleculate_weight>96.09390038</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3070-53-9</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2</inchi>
  <inchikey>GEAWFZNTIFJMHR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <state/>
  <appearance/>
  <experimental_properties>
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      <kind>logp</kind>
      <value>3</value>
    </property>
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      <kind>average_mass</kind>
      <value>96.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>96.09390038</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GEAWFZNTIFJMHR-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>16968</pubchem_compound_id>
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