60420 <common-name>2-Aminoterephthalic acid</common-name> <description nil="true"/> <cas>10312-55-7</cas> <pubchem-id>2724822</pubchem-id> <chemical-formula>C8H7N1O4</chemical-formula> <weight>181.15</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">2026-03-26T20:13:47Z</created-at> <updated-at type="dateTime">2026-08-25T01:47:22Z</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>NC1=C(C=CC(=C1)C(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C8H7N1O4</moldb-formula> <moldb-inchi>InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)</moldb-inchi> <moldb-inchikey>GPNNOCMCNFXRAO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">181.147</moldb-average-mass> <moldb-mono-mass type="decimal">181.037508</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2006940</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>CHEM056313</chemdb-id> <dsstox-id>DTXSID60369241</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002285</susdat-id> <iupac>2-aminoterephthalic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">838</paper-count> <sync-id>CED0009158</sync-id> <structure-inchikey>GPNNOCMCNFXRAO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000080000000000000000000000000000000000000000000000020000000000800400000000000000000000000010000000000000000100000000200000000000000000000000000000000010000000000000000000000200000001000000000000000000040000000000000000000000000000000084000000000000000004000000000000000000000000000000000000000000000000000000000004000000000000200000000000000000000000800000040000000000400000000000000000100000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:17Z</structure-indexed-at> </compound>