3-Oxazolin-5-one

Base Information

• Chemical Name: 3-Oxazolin-5-one
• CAS No.: 5839-94-1
• Molecular Formula: C3H3NO2
• Molecular Weight: 85.06
• DSSTox Substance ID: DTXSID30487441
• Nikkaji Number: J327.247H
• Wikidata: Q82329459
• Mol file: 5839-94-1.mol

Synonyms:3-Oxazolin-5-one;5-oxazolone;5839-94-1;DTXSID30487441

Chemical Property of 3-Oxazolin-5-one

Chemical Property:

• Boiling Point: 105.5±23.0 °C(Predicted)
• PKA: 1.34±0.20(Predicted)
• PSA: 38.66000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: -0.99290
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 85.016378338
• Heavy Atom Count: 6
• Complexity: 97

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1N=CC(=O)O1