diethyl 2-[(2S)-4-methyl-1-nitropentan-2-yl]propanedioate

Base Information

• Chemical Name: diethyl 2-[(2S)-4-methyl-1-nitropentan-2-yl]propanedioate
• CAS No.: 620960-36-3
• Molecular Formula: C13H23NO6
• Molecular Weight: 289.329
• DSSTox Substance ID: DTXSID10461007
• Nikkaji Number: J1.963.005F
• Wikidata: Q82285222

Synonyms:620960-36-3;diethyl 2-[(2S)-4-methyl-1-nitropentan-2-yl]propanedioate;SCHEMBL5163506;DTXSID10461007

Chemical Property of diethyl 2-[(2S)-4-methyl-1-nitropentan-2-yl]propanedioate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 289.15253745
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(CC(C)C)C[N+](=O)[O-])C(=O)OCC
• Isomeric SMILES: CCOC(=O)C([C@H](CC(C)C)C[N+](=O)[O-])C(=O)OCC

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