Ethyl 3-(nitromethyl)hexanoate

Base Information

• Chemical Name: Ethyl 3-(nitromethyl)hexanoate
• CAS No.: 128013-61-6
• Molecular Formula: C9H17NO4
• DSSTox Substance ID: DTXSID70560646
• Mol file: 128013-61-6.mol

Synonyms:Ethyl 3-(nitromethyl)hexanoate;128013-61-6;Hexanoic acid, 3-(nitromethyl)-, ethyl ester;Ethyl3-(nitromethyl)hexanoate;SCHEMBL1664773;DTXSID70560646;CRUVGEHKMFFRSF-UHFFFAOYSA-N;MFCD27996024;AKOS022186615;3-nitromethyl-hexanoic Acid Ethyl Ester;AS-66237;W17995

Chemical Property of Ethyl 3-(nitromethyl)hexanoate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC(=O)OCC)C[N+](=O)[O-]