Methyl 2-nitrobutanoate

Base Information

• Chemical Name: Methyl 2-nitrobutanoate
• CAS No.: 59906-50-2
• Molecular Formula: C5H9NO4
• Molecular Weight: 147.12900
• DSSTox Substance ID: DTXSID40502639
• Nikkaji Number: J1.432.238H
• Mol file: 59906-50-2.mol

Synonyms:Methyl 2-nitrobutanoate;59906-50-2;nitrobutyric acid methyl ester;SCHEMBL3955068;DTXSID40502639

Chemical Property of Methyl 2-nitrobutanoate

Chemical Property:

• PSA: 72.12000
• LogP: 0.73790
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OC)[N+](=O)[O-]