2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione

Base Information

• Chemical Name: 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
• CAS No.: 98208-18-5
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• DSSTox Substance ID: DTXSID70355231
• Wikidata: Q82133992
• ChEMBL ID: CHEMBL1529464

Synonyms:2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione;98208-18-5;1,3-Cyclohexanedione, 2-(1H-indol-3-yl)-5,5-dimethyl-;Enamine_000805;Oprea1_295178;Oprea1_746409;MLS000856071;SCHEMBL1050492;CHEMBL1529464;DTXSID70355231;LBDUZHZSJNMCHP-UHFFFAOYSA-N;HMS1396E13;HMS2698B11;BBL036931;STK726980;AKOS000593009;CCG-103665;SMR000282816;VS-13777;CS-0325573;AB00080354-01;SR-01000395596;SR-01000395596-1

Chemical Property of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C(C(=O)C1)C2=CNC3=CC=CC=C32)C

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