Diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate

Base Information

• Chemical Name: Diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
• CAS No.: 5610-43-5
• Molecular Formula: C19H23NO8
• Molecular Weight: 393.3878
• DSSTox Substance ID: DTXSID60386211
• Nikkaji Number: J3.332.803F
• ChEMBL ID: CHEMBL1730424

Synonyms:diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate;5610-43-5;Oprea1_204394;Oprea1_306128;MLS000711249;CHEMBL1730424;DTXSID60386211;HMS2764A10;STK392531;AKOS000652331;SMR000281016;EU-0068672;SR-01000404171;SR-01000404171-1;2-(4-Nitrophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester

Chemical Property of Diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 7.84E-13mmHg at 25°C
• Boiling Point: 547.8°Cat760mmHg
• Flash Point: 285.1°C
• Density: 1.299g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 393.14236669
• Heavy Atom Count: 28
• Complexity: 622

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

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