1-Methoxy-3,4,5-trimethyl-1-oxo-1H-1lambda~5~-pyrazole

Base Information

• Chemical Name: 1-Methoxy-3,4,5-trimethyl-1-oxo-1H-1lambda~5~-pyrazole
• CAS No.: 39753-42-9
• Molecular Formula: C₇H₁₂N₂O₂
• Molecular Weight: 156.18
• DSSTox Substance ID: DTXSID30702444
• Mol file: 39753-42-9.mol

Synonyms:DTXSID30702444;1-Methoxy-3,4,5-trimethyl-1-oxo-1H-1lambda~5~-pyrazole

Chemical Property of 1-Methoxy-3,4,5-trimethyl-1-oxo-1H-1lambda~5~-pyrazole

Chemical Property:

• Refractive Index: 1.4880 (estimate)
• Boiling Point: 280.42°C (rough estimate)
• PSA: 51.02000
• Density: 1.1832 (rough estimate)
• LogP: 0.94020
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.089877630
• Heavy Atom Count: 11
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C([N+](N=C1C)([O-])OC)C