119787 <common-name>Phenanthrene, 4,5-dimethyl- (8CI)(9CI)</common-name> <description nil="true"/> <cas>3674-69-9</cas> <pubchem-id>77245</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">2026-04-06T02:52:07Z</created-at> <updated-at type="dateTime">2026-04-17T16:57:33Z</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=C2C(C=CC3=CC=CC(C)=C23)=CC=C1</moldb-smiles> <moldb-formula>C16H14</moldb-formula> <moldb-inchi>InChI=1S/C16H14/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13/h3-10H,1-2H3</moldb-inchi> <moldb-inchikey>GWWHAAHVHHLOQW-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>CHEM115680</chemdb-id> <dsstox-id>DTXSID20190199</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00095887</susdat-id> <iupac>4,5-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>CED0182836</sync-id> <structure-inchikey>GWWHAAHVHHLOQW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000200000000000000000000000000001000040000001800000000000000000000000000000000000000000000000000000000000000040000000080100000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000000000001000040000000000000000000000000008001000000000000</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�� h� h� �� �h�� h� �h���h���h���h���h�B�������� ������������ ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T03:04:25Z</structure-indexed-at> </compound>