4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Base Information

• Chemical Name: 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
• CAS No.: 58248-65-0
• Molecular Formula: C22H32N2O2
• Molecular Weight: 356.50200
• DSSTox Substance ID: DTXSID50396829
• Nikkaji Number: J342.473A
• Mol file: 58248-65-0.mol

Synonyms:58248-65-0;4-Dodecanoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one;4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one;DTXSID50396829;AKOS024354394;2,4-Dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-3H-pyrazol-3-one

Chemical Property of 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Chemical Property:

• PSA: 49.74000
• LogP: 5.01590
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 356.246378268
• Heavy Atom Count: 26
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

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