330752 <common-name>2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione</common-name> <description>2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione is a chemical compound with the formula C22H20O5. It has an average molecular weight of 364.40 g/mol.</description> <cas>77053-97-5</cas> <pubchem-id>3059714</pubchem-id> <chemical-formula>C22H20O5</chemical-formula> <weight>364.4</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">2026-08-30T11:25:18Z</created-at> <updated-at type="dateTime">2026-08-30T11:25:18Z</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>C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4</moldb-smiles> <moldb-formula>C22H20O5</moldb-formula> <moldb-inchi>InChI=1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2</moldb-inchi> <moldb-inchikey>OLUMRJVVZCNCBF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">364.1310737</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <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>CHEM326645</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione</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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0281296</sync-id> <structure-inchikey>OLUMRJVVZCNCBF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000800000000000000000000000000000010000000000000000000220000100000000200004000000000000400000000000020000000000000000000002000000000000000220800000000000000000002000000000000000010000000000000000100000000000020000200000000000000000100010000000000000a00000000000000002000000000100002000001000000001000000000000000004000000080000000010000000000000000000000020000000000008000000000000000000010001000000000000000000000220001000000080000000000000010040000000400400000000000000000000800000000000</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">2026-09-19T05:33:14Z</structure-indexed-at> </compound>