18893 <common-name>2-Naphthoxyacetic acid</common-name> <description nil="true"/> <cas>120-23-0</cas> <pubchem-id>8422</pubchem-id> <chemical-formula>C12H10O3</chemical-formula> <weight>202.21</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">2016-05-22T04:38:37Z</created-at> <updated-at type="dateTime">2026-08-18T15:48:05Z</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)COC1=CC2=CC=CC=C2C=C1</moldb-smiles> <moldb-formula>C12H10O3</moldb-formula> <moldb-inchi>InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)</moldb-inchi> <moldb-inchikey>RZCJYMOBWVJQGV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">202.206</moldb-average-mass> <moldb-mono-mass type="decimal">202.062994186</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8115</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>CHEM017788</chemdb-id> <dsstox-id>DTXSID2042195</dsstox-id> <toxcast-id>42195</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000707</susdat-id> <iupac>2-naphthalen-2-yloxyacetic acid</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>55.05600000000001</moldb-refractivity> <moldb-polarizability>20.846158104897576</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.998578251451822</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.893405077170912</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.73</moldb-alogps-logp> <moldb-alogps-logs>-3.04</moldb-alogps-logs> <moldb-alogps-solubility>1.86e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenoxyacetic acid derivatives</subklass> <paper-count type="integer">93</paper-count> <sync-id>CED0019429</sync-id> <structure-inchikey>RZCJYMOBWVJQGV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000100000000000000000000000000000200000000000000004000000000000000000000000000000000000000000000000000200000000000020000000080100000200000000000000000000010000001000000000100000000000000000000000000000000000000000000000000001800000000000000000000000000100000000000000000000000000000000000000000000080000000000000080080000000000040000000000000000000000000000000000000000000000000000000000400200000000000000000000000001000040010000000400000000000000000000080000000000</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�B������� ����� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:21Z</structure-indexed-at> </compound>