<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">287241</id>
  <title nil="true"/>
  <common-name>3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one</common-name>
  <description>3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one belongs to the 1-hydroxy-2-unsubstituted benzenoids, a subclass of phenols within the organic compounds. It is classified as a benzenoid with the chemical formula C13H13NO4 and an average molecular weight of 247.25 g/mol.</description>
  <cas>23598-59-6</cas>
  <pubchem-id>211834</pubchem-id>
  <chemical-formula>C13H13NO4</chemical-formula>
  <weight>247.25</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">2026-08-27T23:37:10Z</created-at>
  <updated-at type="dateTime">2026-08-27T23:37:10Z</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>C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)O</moldb-smiles>
  <moldb-formula>C13H13NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C13H13NO4/c1-2-7-17-9-12-8-14(13(16)18-12)10-3-5-11(15)6-4-10/h1,3-6,12,15H,7-9H2</moldb-inchi>
  <moldb-inchikey>IQQBACKUBFUZMK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">247.0844579</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.1</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>CHEM283134</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>3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-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>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>1-hydroxy-2-unsubstituted benzenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0239023</sync-id>
  <structure-inchikey>IQQBACKUBFUZMK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>880000000000000000000000000000000000004000000008000000000020000000000000000000000100000000000000000000000000000000000200000000000002800000000020800020000100000000001042000000000000010000000000000000000000000010020100000000020000000000100000000000000000000000000880800000000000000000020000000000000000000000004000000000000000080110000000000000004000000000000001000000000000000000002000010000000000000000000000000000000200000020000000000040000400000040000000000000000000000000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������`������� ������`�������`�������`�������(�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������h������������������������������� �	(��
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  <structure-indexed-at type="dateTime">2026-09-19T05:00:40Z</structure-indexed-at>
</compound>
