2-Isobutyl-3-ketoglutarate diethyl ester

Base Information

• Chemical Name: 2-Isobutyl-3-ketoglutarate diethyl ester
• CAS No.: 120699-26-5
• Molecular Formula: C13H22O5
• DSSTox Substance ID: DTXSID20433856
• Nikkaji Number: J1.999.659J
• Mol file: 120699-26-5.mol

Synonyms:2-isobutyl-3-ketoglutarate diethyl ester;120699-26-5;Diethyl 2-(2-methylpropyl)-3-oxopentanedioate;SCHEMBL5141925;DTXSID20433856;AHQCDELDXJJIBH-UHFFFAOYSA-N;2-Isobutyl-3-oxoglutaric acid diethyl ester

Chemical Property of 2-Isobutyl-3-ketoglutarate diethyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 258.14672380
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC

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