43701 <common-name>2-(2-Naphthyloxy)-propinsäure</common-name> <description>2-(2-Naphthyloxy)-propinsäure belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C13H12O3 and an average molecular weight of 216.24 g/mol.</description> <cas>13949-67-2</cas> <pubchem-id>85662</pubchem-id> <chemical-formula>C13H12O3</chemical-formula> <weight>216.23</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">2016-06-03T10:00:08Z</created-at> <updated-at type="dateTime">2026-08-18T23:12:38Z</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>CC(OC1=CC=CC2=CC=CC=C12)C(O)=O</moldb-smiles> <moldb-formula>C13H12O3</moldb-formula> <moldb-inchi>InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)</moldb-inchi> <moldb-inchikey>KTAVXDDWEGVLRN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.236</moldb-average-mass> <moldb-mono-mass type="decimal">216.078644246</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77256</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>CHEM042596</chemdb-id> <dsstox-id>DTXSID60884520</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Fenner, GWA, 2011</stoff-ident-origin> <stoff-ident-id>SI00000637</stoff-ident-id> <susdat-id>NS00005737</susdat-id> <iupac>2-naphthalen-1-yloxypropanoic acid</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>59.549900000000015</moldb-refractivity> <moldb-polarizability>22.32913466986668</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>4.0742117950156835</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.927088838101401</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.99</moldb-alogps-logp> <moldb-alogps-logs>-2.85</moldb-alogps-logs> <moldb-alogps-solubility>3.03e-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">0</paper-count> <sync-id>CED0157349</sync-id> <structure-inchikey>KTAVXDDWEGVLRN-UHFFFAOYSA-N</structure-inchikey> 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<structure-pattern-fingerprint>401000200122064088000800010820000000040000052000003520400200000c40020010008000000000410800800000242000a040cc34010022443000a04000c4130c00020006000090103000620300000001805000103240000422000049000c200406004082000000040044300001200680100005e0041108200002510012404400084c40000808000200880c0008111c0016444014020004080000400080004100001000c00002000840013d211002c00000894108481180420008c802100000000404000013018000000401028004000000020050000d000200080001000010081000000000000000024000200400100010814080060000010050000000</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">2026-09-19T04:11:30Z</structure-indexed-at> </compound>