297418 <common-name>2-[4-(hydroxymethyl)-2,2,6-trimethyl-1-oxo-3h-inden-5-yl]ethyl nitrate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>10780043</pubchem-id> <chemical-formula>C15H19NO5</chemical-formula> <weight>293.31</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">2026-08-28T13:38:53Z</created-at> <updated-at type="dateTime">2026-08-28T13:38:53Z</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=CC2=C(CC(C2=O)(C)C)C(=C1CCO[N+](=O)[O-])CO</moldb-smiles> <moldb-formula>C15H19NO5</moldb-formula> <moldb-inchi>InChI=1S/C15H19NO5/c1-9-6-11-12(7-15(2,3)14(11)18)13(8-17)10(9)4-5-21-16(19)20/h6,17H,4-5,7-8H2,1-3H3</moldb-inchi> <moldb-inchikey>WHOGGDBUMYFNQX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">293.1263227</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM293311</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-[4-(hydroxymethyl)-2,2,6-trimethyl-1-oxo-3h-inden-5-yl]ethyl nitrate</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>Indanes</klass> <subklass>Indanones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0248802</sync-id> <structure-inchikey>WHOGGDBUMYFNQX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000100000000010080000000000008000000000000000400000200000000000000000000002108000000804000000000000000000000000000000000000000000000000000000000000000000000402000000000090000102000000040000000000001000000060010000010000000000002000800400000000000000000000000004800000000000000000000000000000000000000000000100000002000008000000080000000000008010008000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000100000000006000000000000000000010100000000000000000a000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(�������`������� ������(�������(�������`�������`������@(������@(�������`�������`�������(������ *��������(������ *���ÿ����`�������`�����������h���h���h������������(�� �� ���h���h�� � ������� ��(��� ��������h��� B���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:19Z</structure-indexed-at> </compound>