299784 <common-name>6-[(3-oxo-1h-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid</common-name> <description>6-[(3-oxo-1h-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic acid belongs to the benzofuranones, a subclass of benzofurans within the organic compounds. It is an organoheterocyclic compound with the formula C16H11NO6 and an average molecular weight of 313.26 g/mol.</description> <cas>64179-32-4</cas> <pubchem-id>3048957</pubchem-id> <chemical-formula>C16H11NO6</chemical-formula> <weight>313.26</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">2026-08-28T16:26:46Z</created-at> <updated-at type="dateTime">2026-08-28T16:26:46Z</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>C1OC2=C(O1)C=C(C(=C2)C(=O)O)NC3C4=CC=CC=C4C(=O)O3</moldb-smiles> <moldb-formula>C16H11NO6</moldb-formula> <moldb-inchi>InChI=1S/C16H11NO6/c18-15(19)10-5-12-13(22-7-21-12)6-11(10)17-14-8-3-1-2-4-9(8)16(20)23-14/h1-6,14,17H,7H2,(H,18,19)</moldb-inchi> <moldb-inchikey>YGMLWQILEBBPDQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">313.0586371</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM295677</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>6-[(3-oxo-1h-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylic 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>Organoheterocyclic compounds</superklass> <klass>Benzofurans</klass> <subklass>Benzofuranones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0251074</sync-id> <structure-inchikey>YGMLWQILEBBPDQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000008000100004000000000000400080000000000000000000000000000000000000000000000020800000000000000000002002000000000010010000000000000000100000000200020000002000000080000000101000010000000000800000008000000080000000000100000080000000000000000000000000000004000000090000000001000000000000000000000000000001005000000004000000000000000000000000000000000000000200000000000080000000000000010040000000400400000400000000000100000000000100</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�B���������������������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:02Z</structure-indexed-at> </compound>