97640 <common-name>1,1,3,3-Tetramethyl-6-nitroindan-5-ol</common-name> <description>1,1,3,3-Tetramethyl-6-nitroindan-5-ol belongs to the indanes, a class of benzenoids within the organic compounds. This compound has the formula C13H18NO3 and an average molecular weight of 235.28 g/mol.</description> <cas>73183-80-9</cas> <pubchem-id>3018405</pubchem-id> <chemical-formula>C13H18NO3</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">2026-04-05T05:24:18Z</created-at> <updated-at type="dateTime">2026-04-05T05:24:18Z</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>CC1(C)CC(C)(C)C2=CC(=C(O)C=C12)N(=O)=O</moldb-smiles> <moldb-formula>C13H18NO3</moldb-formula> <moldb-inchi>InChI=1/C13H17NO3/c1-12(2)7-13(3,4)9-6-11(15)10(14(16)17)5-8(9)12/h5-6,15H,7H2,1-4H3</moldb-inchi> <moldb-inchikey>IFMWQOBINNJAKV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">235.283</moldb-average-mass> <moldb-mono-mass type="decimal">236.1286684</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>CHEM093533</chemdb-id> <dsstox-id>DTXSID70993910</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060002</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>Benzenoids</superklass> <klass>Indanes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0120699</sync-id> <structure-inchikey>IFMWQOBINNJAKV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000000000002000000000004000000000000000000000080000000000000000000000000000000000000020000000000000001a00000000400000000000010000000200000000100000000000020080004000000000000000000000000048000000040000000000000000000010001000000000000000000020000000000000200000000000080000000000000000000000000000000000000000000000000000002100000000000000000000000000000000000000000000000000000000000000000040000000000000000000001000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`������@(������@h�������@(������@(�������h�������@h�������@(�������*��������*���ÿ����(�����������������������������h�� h� h� � �h�� h� � �� ��(� �� �h�B��������� �� � �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:40Z</structure-indexed-at> </compound>