100536 <common-name>Ethyl a-formyl-1,3-benzodioxole-5-propanoate</common-name> <description>Ethyl a-formyl-1,3-benzodioxole-5-propanoate belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H14O5 and an average molecular weight of 250.25 g/mol.</description> <cas>72716-70-2</cas> <pubchem-id>10060648</pubchem-id> <chemical-formula>C13H14O5</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">2026-04-05T07:55:36Z</created-at> <updated-at type="dateTime">2026-04-05T07:55:36Z</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>CCOC(=O)C(CC1=CC2=C(OCO2)C=C1)C=O</moldb-smiles> <moldb-formula>C13H14O5</moldb-formula> <moldb-inchi>InChI=1/C13H14O5/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-4,6-7,10H,2,5,8H2,1H3</moldb-inchi> <moldb-inchikey>MPWATBGBEKGSJA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">250.25</moldb-average-mass> <moldb-mono-mass type="decimal">250.0841235</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>CHEM096429</chemdb-id> <dsstox-id>DTXSID10993530</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063611</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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0158717</sync-id> <structure-inchikey>MPWATBGBEKGSJA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000010000000000000000000000000000000000002000200000000000000000000000000000000400000000000000008000000000000000000000000000000000020800000000300000000002000000000000000810000000000000000100000000000020000000000000000000800000010000040000000000000000004000000000000000000000000020000000000000004000000000004000000080000000000000000000000000000000020000000000000000000000000000000010000000000000000002000000220020000000080082000000000010040000000400400000000000000000200000000000000</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� B�������� ��� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:20Z</structure-indexed-at> </compound>