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<compound>
  <version>1.0</version>
  <creation_date>2026-08-17 23:00:48 UTC</creation_date>
  <update_date>2026-08-17 23:00:48 UTC</update_date>
  <accession/>
  <common_name>[3-(2-methylprop-2-enoylamino)phenyl]boronic acid</common_name>
  <class>SmallMolecule</class>
  <description>[3-(2-methylprop-2-enoylamino)phenyl]boronic acid is an organic compound with the formula C10H12BNO3 and an average molecular weight of 205.02 g/mol. [3-(2-methylprop-2-enoylamino)phenyl]boronic acid belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This substance has been identified in one recorded source: food, food processing &amp; cookware, specifically during the preparation of wort.</description>
  <categories/>
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  <synonyms/>
  <chemical_formula>C10H12BNO3</chemical_formula>
  <average_molecular_weight>205.02</average_molecular_weight>
  <monisotopic_moleculate_weight>205.0910234</monisotopic_moleculate_weight>
  <iupac_name/>
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  <cas_registry_number>48150-45-4</cas_registry_number>
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  <inchi>InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)</inchi>
  <inchikey>GBBUBIKYAQLESK-UHFFFAOYSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
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      <value>205.02</value>
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    </property>
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      <value>205.0910234</value>
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    </property>
    <property>
      <kind>formula</kind>
      <value>C10H12BNO3</value>
      <source>ChemAxon</source>
    </property>
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      <value>InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GBBUBIKYAQLESK-UHFFFAOYSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>3016474</pubchem_compound_id>
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