341609 <common-name>Anthracen-9-ylmethyl 2,4,6-trimethylbenzoate</common-name> <description>Anthracen-9-ylmethyl 2,4,6-trimethylbenzoate is a chemical compound with the formula C25H22O2. It has an average molecular weight of 354.40 g/mol.</description> <cas>51513-47-4</cas> <pubchem-id>4402040</pubchem-id> <chemical-formula>C25H22O2</chemical-formula> <weight>354.4</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">2026-08-31T02:10:58Z</created-at> <updated-at type="dateTime">2026-08-31T02:10:58Z</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=CC(=C(C(=C1)C)C(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C</moldb-smiles> <moldb-formula>C25H22O2</moldb-formula> <moldb-inchi>InChI=1S/C25H22O2/c1-16-12-17(2)24(18(3)13-16)25(26)27-15-23-21-10-6-4-8-19(21)14-20-9-5-7-11-22(20)23/h4-14H,15H2,1-3H3</moldb-inchi> <moldb-inchikey>QCHMSYKZDLHURP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.1619799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.9</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>CHEM337502</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>Anthracen-9-ylmethyl 2,4,6-trimethylbenzoate</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>Anthracenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0292007</sync-id> <structure-inchikey>QCHMSYKZDLHURP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000800000000000000050000000000000080000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000020200000000000000020000000000100000000000040000000000000010000000800000000100000000000000000002000000000000000000000000040000001800000000000000000000000000100000000000000000000000000000000000080040000080100000000000000000000000000000020000000000000040000000000000000000000000000000000002000000200000000000000000108000001000048000000000400000000400000000000000000002000</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���h���h���h���h���h������h���h�� h���h�B����������������� ����� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:30Z</structure-indexed-at> </compound>