Propanedioic acid, [(1S)-1-(nitromethyl)hexyl]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(1S)-1-(nitromethyl)hexyl]-, diethyl ester
• CAS No.: 620960-35-2
• Molecular Formula: C14H25NO6
• Molecular Weight: 303.35100
• DSSTox Substance ID: DTXSID60477890
• Nikkaji Number: J1.963.004H
• Wikidata: Q82310931
• Mol file: 620960-35-2.mol

Synonyms:620960-35-2;Propanedioic acid, [(1S)-1-(nitromethyl)hexyl]-, diethyl ester;DTXSID60477890

Chemical Property of Propanedioic acid, [(1S)-1-(nitromethyl)hexyl]-, diethyl ester

Chemical Property:

• PSA: 98.42000
• LogP: 2.72520
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 303.16818752
• Heavy Atom Count: 21
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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