304648 <common-name>2-[(e)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]benzoic acid</common-name> <description>2-[(e)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]benzoic acid belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C16H9Cl2NO2 and an average molecular weight of 318.20 g/mol.</description> <cas>75227-08-6</cas> <pubchem-id>6435326</pubchem-id> <chemical-formula>C16H9Cl2NO2</chemical-formula> <weight>318.2</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">2026-08-28T22:10:17Z</created-at> <updated-at type="dateTime">2026-08-28T22:10:17Z</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>C1=CC=C(C(=C1)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N)C(=O)O</moldb-smiles> <moldb-formula>C16H9Cl2NO2</moldb-formula> <moldb-inchi>InChI=1S/C16H9Cl2NO2/c17-14-6-5-10(8-15(14)18)7-11(9-19)12-3-1-2-4-13(12)16(20)21/h1-8H,(H,20,21)/b11-7-</moldb-inchi> <moldb-inchikey>HTDNSBXHAJCHHL-XFFZJAGNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">317.0010339</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM300541</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>2-[(e)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]benzoic acid</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>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0255776</sync-id> <structure-inchikey>HTDNSBXHAJCHHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000000000000000000002000004000000000000000480000000000000000000000000400000000000000000000020002020000200000010000000000000000200130000000000000000100000000000000000000000000000000000000000010000000000800000000000000200000000000100000000000000000000000000000000000000000000088000200000000001000200000000000000100000002000000000000000000000010000000010000000000000002200000000000000000000000000000040000000000400000000002000000100000000004000</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�B������������ �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:13:36Z</structure-indexed-at> </compound>