74850 <common-name>Benzoic acid, 4-methoxy-, 4-propylphenyl ester</common-name> <description nil="true"/> <cas>50649-28-0</cas> <pubchem-id>170878</pubchem-id> <chemical-formula>C17H18O3</chemical-formula> <weight>270.32</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">2026-04-04T02:25:41Z</created-at> <updated-at type="dateTime">2026-08-19T20:07:48Z</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>CCCC1=CC=C(OC(=O)C2=CC=C(OC)C=C2)C=C1</moldb-smiles> <moldb-formula>C17H18O3</moldb-formula> <moldb-inchi>InChI=1S/C17H18O3/c1-3-4-13-5-9-16(10-6-13)20-17(18)14-7-11-15(19-2)12-8-14/h5-12H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>YQNHZOBOLKKSLP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">270.328</moldb-average-mass> <moldb-mono-mass type="decimal">270.125594</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>149395</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>CHEM070743</chemdb-id> <dsstox-id>DTXSID1068568</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032110</susdat-id> <iupac>(4-propylphenyl) 4-methoxybenzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0117642</sync-id> <structure-inchikey>YQNHZOBOLKKSLP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000040000000000000000800000000000000000002000200200000000000000000000000000000000000000000000000000000000000000000000002000000000020000000000100000200000000000000050020010000010040000020000000000000000000000000000000000000000000040040000000000000000000000000000000000000000000001000000000000000000000000000000000084000000000000002000000000000000000000080000000000000000000000000000000000000004000000240000220000000000000000000000000000040000000000400000000000000000000000000000000</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�� h�B�������������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T02:39:35Z</structure-indexed-at> </compound>