18479 <common-name>Alizarin Yellow R</common-name> <description>Alizarin Yellow R belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C13H9N3O5 and an average molecular weight of 287.23 g/mol.</description> <cas>2243-76-7</cas> <pubchem-id nil="true"/> <chemical-formula>C13H9N3O5</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">2016-05-22T04:16:58Z</created-at> <updated-at type="dateTime">2026-04-03T08:55:26Z</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>OC(=O)C1=C(O)C=CC(=C1)\N=N\C1=CC=C(C=C1)N(=O)=O</moldb-smiles> <moldb-formula>C13H9N3O5</moldb-formula> <moldb-inchi>InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+</moldb-inchi> <moldb-inchikey>YVJPMMYYRNHJAU-CCEZHUSRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">287.231</moldb-average-mass> <moldb-mono-mass type="decimal">287.054220402</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13265975</chemspider-id> <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>CHEM017374</chemdb-id> <dsstox-id>DTXSID1033163</dsstox-id> <toxcast-id>33163</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021063</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>128.07</moldb-polar-surface-area> <moldb-refractivity>76.93879999999999</moldb-refractivity> <moldb-polarizability>27.031875130902463</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.2277603745563463</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.2724001797687977</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.76</moldb-alogps-logp> <moldb-alogps-logs>-3.83</moldb-alogps-logs> <moldb-alogps-solubility>4.29e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azobenzenes</klass> <subklass nil="true"/> <paper-count type="integer">37</paper-count> <sync-id>CED0017973</sync-id> <structure-inchikey>YVJPMMYYRNHJAU-CCEZHUSRSA-N</structure-inchikey> 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