94964 <common-name>4-Amino-5-nitro-o-anisic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>101016</pubchem-id> <chemical-formula>C8H9N2O5</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">2026-04-05T03:06:11Z</created-at> <updated-at type="dateTime">2026-04-05T03:06:11Z</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>COC1=C(C=C(C(N)=C1)N(=O)=O)C(O)=O</moldb-smiles> <moldb-formula>C8H9N2O5</moldb-formula> <moldb-inchi>InChI=1/C8H8N2O5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,9H2,1H3,(H,11,12)</moldb-inchi> <moldb-inchikey>AOANPIGDKLHHIC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.161</moldb-average-mass> <moldb-mono-mass type="decimal">213.0511464</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM090857</chemdb-id> <dsstox-id>DTXSID30974760</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056849</susdat-id> <iupac nil="true"/> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0186929</sync-id> <structure-inchikey>AOANPIGDKLHHIC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000400000000400000000000000000000000002000000004000000000000000080000000000000000000000000000000000000000000000020000000000100001800800000400000000000010000000240000000100000000200000000000000000000000000000000010040000000000000000000000000001000001000000000000002000000000000000000000000000000080000000000000000004000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000400000000001020000300080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������@(�������h�������@h��������*��������*���ÿ����(�������(�������h��������(����������� ��h���h���h���h��� ��h�� �(��� � ��(���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:07Z</structure-indexed-at> </compound>