<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">119792</id>
  <title nil="true"/>
  <common-name>Phenanthrene, 2,3-dimethyl-</common-name>
  <description>Phenanthrene, 2,3-dimethyl- belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C16H14 and an average molecular weight of 206.29 g/mol.</description>
  <cas>3674-65-5</cas>
  <pubchem-id>77243</pubchem-id>
  <chemical-formula>C16H14</chemical-formula>
  <weight>206.28</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">2026-04-06T02:52:18Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:57:29Z</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>CC1=CC2=C(C=C1C)C1=CC=CC=C1C=C2</moldb-smiles>
  <moldb-formula>C16H14</moldb-formula>
  <moldb-inchi>InChI=1S/C16H14/c1-11-9-14-8-7-13-5-3-4-6-15(13)16(14)10-12(11)2/h3-10H,1-2H3</moldb-inchi>
  <moldb-inchikey>QVRDLHPBZKOROD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">206.288</moldb-average-mass>
  <moldb-mono-mass type="decimal">206.1095504</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>CHEM115685</chemdb-id>
  <dsstox-id>DTXSID00190197</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00095893</susdat-id>
  <iupac>2,3-Dimethylphenanthrene</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>Phenanthrenes and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0185211</sync-id>
  <structure-inchikey>QVRDLHPBZKOROD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000800000000100000000000000000000000000000000000000000000040000001800080000000000000000000000100000000000000000040000000000000000000040000080100000000000000000000000000000000000000000000040000000000000000000000000000000000002000000200020000000000000000000001000040000000000000008000000000000000000000000000</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���h���h���h������h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:44:28Z</structure-indexed-at>
</compound>
