2-Oxo-3-(methylsulfonyl)propanal oxime

Base Information

• Chemical Name: 2-Oxo-3-(methylsulfonyl)propanal oxime
• CAS No.: 112740-58-6
• Molecular Formula: C4H7 N O4 S
• Molecular Weight: 165.1677
• DSSTox Substance ID: DTXSID80878744
• ChEMBL ID: CHEMBL162482
• Mol file: 112740-58-6.mol

Synonyms:2-oxo-3-(methylsulfonyl)propanal oxime;112740-58-6;(1E)-1-Hydroxyimino-3-methylsulfonylpropan-2-one;Sulfonium, (3-(hydroxyimino)-2-oxopropyl)methyl-, (E)-;CHEMBL162482;DTXSID80878744;2-OXOPROPANAL OXIME,1-METHYLSULFONE

Chemical Property of 2-Oxo-3-(methylsulfonyl)propanal oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 445.237°C at 760 mmHg
• Flash Point: 223.071°C
• Density: 1.43g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 165.00957888
• Heavy Atom Count: 10
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CC(=O)C=NO
• Isomeric SMILES: CS(=O)(=O)CC(=O)/C=N/O