80994 <common-name>3,4-Dihydro-4,4-dimethyl-7,8-benzocoumarin</common-name> <description>3,4-Dihydro-4,4-dimethyl-7,8-benzocoumarin belongs to the naphthopyranones, a subclass of naphthopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C15H14O2 and an average molecular weight of 226.28 g/mol.</description> <cas>94109-70-3</cas> <pubchem-id>44153231</pubchem-id> <chemical-formula>C15H14O2</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">2026-04-04T16:52:23Z</created-at> <updated-at type="dateTime">2026-04-04T16:52:23Z</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>CC1(C)CC(=O)OC2=C1C=CC1=CC=CC=C21</moldb-smiles> <moldb-formula>C15H14O2</moldb-formula> <moldb-inchi>InChI=1S/C15H14O2/c1-15(2)9-13(16)17-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3</moldb-inchi> <moldb-inchikey>MIWUQSAQQBUPAR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">226.275</moldb-average-mass> <moldb-mono-mass type="decimal">226.09938</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>57523581</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>CHEM076887</chemdb-id> <dsstox-id>DTXSID40240620</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040071</susdat-id> <iupac>4,4-dimethyl-3H-benzo[h]chromen-2-one</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>Naphthopyrans</klass> <subklass>Naphthopyranones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117693</sync-id> <structure-inchikey>MIWUQSAQQBUPAR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000200000100000000000000000000000080020000000000800000000000000000000000000000000000000000000000000000000000000000000000020800000000000000000000000000000000000000000000000000000000000000000020008004000201000000000000000000048000001800080000000000000000000000100000000000002000020000200000000080000040000080000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000200000000000000200000000001000040000000000000000000000800080000000000000000</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�B������������ ������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:46Z</structure-indexed-at> </compound>