<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:56:51 UTC</creation_date>
  <update_date>2026-08-23 14:27:31 UTC</update_date>
  <accession/>
  <common_name>2-Propenoic acid, 2-isocyanatoethyl ester</common_name>
  <class>SmallMolecule</class>
  <description>2-Propenoic acid, 2-isocyanatoethyl ester is an organic compound with the formula C6H7NO3 and an average molecular weight of 141.13 g/mol. 2-Propenoic acid, 2-isocyanatoethyl ester belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

The compound has been identified in or released from five recorded sources, including drinking water and water supply as well as electrical and electronic equipment, specifically antennas, magnets, power cables, and thin magnetic films. The recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H7NO3</chemical_formula>
  <average_molecular_weight>141.126</average_molecular_weight>
  <monisotopic_moleculate_weight>141.0425931</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>13641-96-8</cas_registry_number>
  <smiles>C=CC(=O)OCCN=C=O</smiles>
  <inchi>InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2</inchi>
  <inchikey>DPNXHTDWGGVXID-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/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>141.126</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>141.0425931</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C=CC(=O)OCCN=C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H7NO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DPNXHTDWGGVXID-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3014768</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2283061</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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