<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278014</id>
  <title nil="true"/>
  <common-name>(1s)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol</common-name>
  <description>(1s)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol belongs to the coumarans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C10H12O3 and an average molecular weight of 180.20 g/mol.</description>
  <cas>256472-68-1</cas>
  <pubchem-id>101000243</pubchem-id>
  <chemical-formula>C10H12O3</chemical-formula>
  <weight>180.2</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">2026-08-26T17:57:13Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:57:13Z</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>C1COC2=CC=CC(=C21)C(CO)O</moldb-smiles>
  <moldb-formula>C10H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1</moldb-inchi>
  <moldb-inchikey>GISHMZNHTLGCGK-SECBINFHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">180.0786442</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.4</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>CHEM273907</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>(1s)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol</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>Coumarans</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230128</sync-id>
  <structure-inchikey>GISHMZNHTLGCGK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000000002100400000000000000000000000000000040000000000000000000400000000020000000000000000000000004000000000000000000800400000000000000100000000000000000010000000000000000000000000000020000020000000000080000000001000000000000800000000000002000000000000000000000000000000000000000000000000080002000080000000000000000000000004000000000004000000000000000000000000000000000000000000080000000200200000000000000000000000000000040000000400000000400000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������(������@(������@h�������@h�������@h�������@(������@(�������`�������`�������`�������`�������������� ��h���h���h���h���h��	�	
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��	�������h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:53:39Z</structure-indexed-at>
</compound>
