287252 <common-name>6,7-dimethoxy-3-methyl-2-[(e)-2-nitroethenyl]-1-benzofuran</common-name> <description>6,7-dimethoxy-3-methyl-2-[(e)-2-nitroethenyl]-1-benzofuran belongs to the benzofurans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H13NO5 and an average molecular weight of 263.25 g/mol.</description> <cas>37714-49-1</cas> <pubchem-id>6445608</pubchem-id> <chemical-formula>C13H13NO5</chemical-formula> <weight>263.25</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">2026-08-27T23:37:48Z</created-at> <updated-at type="dateTime">2026-08-27T23:37:48Z</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=C(OC2=C1C=CC(=C2OC)OC)C=C[N+](=O)[O-]</moldb-smiles> <moldb-formula>C13H13NO5</moldb-formula> <moldb-inchi>InChI=1S/C13H13NO5/c1-8-9-4-5-11(17-2)13(18-3)12(9)19-10(8)6-7-14(15)16/h4-7H,1-3H3/b7-6+</moldb-inchi> <moldb-inchikey>DCZHTVCQWUAXFZ-VOTSOKGWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">263.0793725</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM283145</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>6,7-dimethoxy-3-methyl-2-[(e)-2-nitroethenyl]-1-benzofuran</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0239034</sync-id> <structure-inchikey>DCZHTVCQWUAXFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000200000000040000000002000000000000000000480000000000000000000400000000000000000000000000000000000000000000000010000000000000000000040000000020800000000300001000000000408000000000000000001240000000010000000000000000000000000000000000000020000040000000000000000000000000000000000000000000000000000000000000000000000000040000080000000000000000000100010000000000000080000000000002010800000000000000000000000000002004108200000000000000000200000000000040000000000000000000001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(������@h�������@h�������@(������@(�������(�������`�������(�������`�������h��������h������� *��������(������ *���ÿ��������h���h���h���h���h���h���h�� h� ���� � ��� ��(��� ��(��� ��h� �h�B�������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:40Z</structure-indexed-at> </compound>