126521 <common-name>(12-Methylbenzo[a]anthracen-7-yl) hydrogen sulfate</common-name> <description>(12-Methylbenzo[a]anthracen-7-yl) hydrogen sulfate belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C19H14O4S and an average molecular weight of 338.40 g/mol.</description> <cas nil="true"/> <pubchem-id>154700151</pubchem-id> <chemical-formula>C19H14O4S</chemical-formula> <weight>338.4</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">2026-04-06T10:08:08Z</created-at> <updated-at type="dateTime">2026-08-29T13:14:55Z</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(C3=CC=CC=C13)OS(=O)(=O)O)C=CC4=CC=CC=C42</moldb-smiles> <moldb-formula>C19H14O4S</moldb-formula> <moldb-inchi>InChI=1S/C19H14O4S/c1-12-14-7-4-5-9-16(14)19(23-24(20,21)22)17-11-10-13-6-2-3-8-15(13)18(12)17/h2-11H,1H3,(H,20,21,22)</moldb-inchi> <moldb-inchikey>ZRZLRDIJEUDWRA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">338.0612801</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM122414</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00117860</susdat-id> <iupac>(12-methylbenzo[a]anthracen-7-yl) hydrogen sulfate</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>CED0098655</sync-id> <structure-inchikey>ZRZLRDIJEUDWRA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000004000000000000000000000000800000000000000100000000000080000000000000000000400020000000000000000000000000000000000080000000000000000000000008000000400000020000000020100000000000000000008000000010000000000000000000000004000000000000001000000000000000000400040000001800080000000000000000000000100000000000000000000000000000000000000040000080000000000000000000000080000000000000000000000040000000000000000000000000000000000002004000200000000000000000000000001000040000000000000000000000000008000000000020000</structure-fingerprint> 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