291686 <common-name>3-hydroxy-2-(4-hydroxybutan-2-yliminomethyl)inden-1-one</common-name> <description>3-hydroxy-2-(4-hydroxybutan-2-yliminomethyl)inden-1-one belongs to the indenes and isoindenes, a class of benzenoids within the organic compounds. It has the chemical formula C14H15NO3 and an average molecular weight of 245.27 g/mol.</description> <cas nil="true"/> <pubchem-id>135417392</pubchem-id> <chemical-formula>C14H15NO3</chemical-formula> <weight>245.27</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">2026-08-28T06:49:46Z</created-at> <updated-at type="dateTime">2026-08-28T06:49:46Z</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(CCO)N=CC1=C(C2=CC=CC=C2C1=O)O</moldb-smiles> <moldb-formula>C14H15NO3</moldb-formula> <moldb-inchi>InChI=1S/C14H15NO3/c1-9(6-7-16)15-8-12-13(17)10-4-2-3-5-11(10)14(12)18/h2-5,8-9,16-17H,6-7H2,1H3</moldb-inchi> <moldb-inchikey>VLWXJNOHJGPSRU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">245.1051933</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM287579</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>3-hydroxy-2-(4-hydroxybutan-2-yliminomethyl)inden-1-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>Benzenoids</superklass> <klass>Indenes and isoindenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0243258</sync-id> <structure-inchikey>VLWXJNOHJGPSRU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000200000000000000002000000000000001000004020000000088000000000000000000000000000004000000000000000000000010000000000000000000020000000000200000004001000000000000000010000000000000080000000000000000000000000000080000000000000000040000000800000000000000001000000001100000000000000000000020010000000000000000000080400000000000000000000080000000000000000000000000000002000000008000000000000000000000000000200800000000000000000000100000040000000000000000000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>50000a0041028600810000404308200400001501810520000035a0c00200401d40620090128000000000410a018000000420002c108c32010002e43000a04000c41124000210040040921000006a0200000085805101133240040522002019000c3824070040020020000000d4740000200680108921e0041138202002110002804400084cd0820808160210882c0008399c8012444014820020080020c0048400c300000811c00002002948017c25100ac00402994318401880420008400210018000840400021301c4028004c5028004020000020050200d0002042800810010100c1000010005004804000113202008100010d043002e0000020052820002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������h��������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������h������������������������(��� ��(�� h� �h���h�� h� �h��� ��(��� �� � h�B������� ��� �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:00Z</structure-indexed-at> </compound>