<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277771</id>
  <title nil="true"/>
  <common-name>6,7-dihydroxy-3-(methylaminomethyl)-3h-2-benzofuran-1-one</common-name>
  <description>6,7-dihydroxy-3-(methylaminomethyl)-3h-2-benzofuran-1-one belongs to the benzofuranones, a subclass of benzofurans within the organic compounds. It is categorized as an organoheterocyclic compound with the chemical formula C10H11NO4 and an average molecular weight of 209.20 g/mol.</description>
  <cas>90922-87-5</cas>
  <pubchem-id>3060606</pubchem-id>
  <chemical-formula>C10H11NO4</chemical-formula>
  <weight>209.2</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-26T17:38:07Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:38:07Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CNCC1C2=C(C(=C(C=C2)O)O)C(=O)O1</moldb-smiles>
  <moldb-formula>C10H11NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H11NO4/c1-11-4-7-5-2-3-6(12)9(13)8(5)10(14)15-7/h2-3,7,11-13H,4H2,1H3</moldb-inchi>
  <moldb-inchikey>FCJUENLOSWRXOY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">209.0688078</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM273664</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6,7-dihydroxy-3-(methylaminomethyl)-3h-2-benzofuran-1-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzofurans</klass>
  <subklass>Benzofuranones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229897</sync-id>
  <structure-inchikey>FCJUENLOSWRXOY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000800010000000000000000000000000200000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000010000000020800004000000000000000002000000000000010000000000000000000000000000000000008000000000000000101001000040000000800000000000020080000000000000000000000000000000000040000000000000000000080000000000020001000000300000000000000000000000000000002900000000000000000000000020000000001200000000000000000000000000000040000000000000000000000000000010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@(������@(������@(������@h�������@h��������h��������h��������(�������(�������(��������������������h���h���h���h��	h��
 �� �� �(��� ���	�h�B��������������	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:53:28Z</structure-indexed-at>
</compound>
