18281 <common-name>3,3'-(1,4-Phenylene)bis-2-propenoic acid</common-name> <description>3,3'-(1,4-Phenylene)bis-2-propenoic acid belongs to the cinnamic acids, a subclass of cinnamic acids and derivatives within the organic compounds. This compound has the formula C12H10O4 and an average molecular weight of 218.21 g/mol. It is classified under the superclass of phenylpropanoids and polyketides.</description> <cas>16323-43-6</cas> <pubchem-id>85983</pubchem-id> <chemical-formula>C12H10O4</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">2016-05-22T03:59:26Z</created-at> <updated-at type="dateTime">2026-04-03T15:33:30Z</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)C=CC1=CC=C(C=CC(O)=O)C=C1</moldb-smiles> <moldb-formula>C12H10O4</moldb-formula> <moldb-inchi>InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)</moldb-inchi> <moldb-inchikey>AAFXQFIGKBLKMC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.208</moldb-average-mass> <moldb-mono-mass type="decimal">218.057908802</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77564</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>CHEM017176</chemdb-id> <dsstox-id>DTXSID9025879</dsstox-id> <toxcast-id>25879</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025325</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>74.6</moldb-polar-surface-area> <moldb-refractivity>60.061800000000005</moldb-refractivity> <moldb-polarizability>22.355647117821704</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.2766526400029345</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.33</moldb-alogps-logp> <moldb-alogps-logs>-3.37</moldb-alogps-logs> <moldb-alogps-solubility>9.21e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Cinnamic acids and derivatives</klass> <subklass>Cinnamic acids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121050</sync-id> <structure-inchikey>AAFXQFIGKBLKMC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>41000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000000000010000001000000000020000000000000000000000208000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000080000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000400000000000000000000000000004000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:06:57Z</structure-indexed-at> </compound>