<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90955</id>
  <title nil="true"/>
  <common-name>2-Methyl-1,3-benzodioxole</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>84167</pubchem-id>
  <chemical-formula>C8H8O2</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T00:35:12Z</created-at>
  <updated-at type="dateTime">2026-04-05T00:35:12Z</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>CC1OC2=CC=CC=C2O1</moldb-smiles>
  <moldb-formula>C8H8O2</moldb-formula>
  <moldb-inchi>InChI=1/C8H8O2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-6H,1H3</moldb-inchi>
  <moldb-inchikey>AYEXQFUNWFFKAP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">136.15</moldb-average-mass>
  <moldb-mono-mass type="decimal">136.0524295</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM086848</chemdb-id>
  <dsstox-id>DTXSID10930844</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00052126</susdat-id>
  <iupac nil="true"/>
  <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>Benzodioxoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0106922</sync-id>
  <structure-inchikey>AYEXQFUNWFFKAP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000002000000000000000000000000000000000000000000000000000000000000000000100000000040000000800000000000000000000000000100000000000000000000000000040080000000000000080000800000000000000000004000000000000000000000000000000008000000000000000000000000000000000200000000000000000000000000000040000000400000000000000000800000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10000001220200000000000008a0000000004000040000002420500200000c40000010028000000000010000800000042000a0008c20010000447000a0000080110000021002000080101000620000000001004001003200000420000001000c2804040040820020001000403000012006801000012004118800200011000300400008454000101800020019080008100c0402440214020008080000000004004100001000400002000900003c201002c00000804108400800400000000210000000040400001001800000000100800400000000004020000002040800010000100000000000000000000201002000000000100040000a0000800050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
�������€���`�������`�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������������� ��h���h���h���h���h��	 	����h�B���������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:33:33Z</structure-indexed-at>
</compound>
