3-Methylbut-1-en-1-one

Base Information

• Chemical Name: 3-Methylbut-1-en-1-one
• CAS No.: 69009-29-6
• Molecular Formula: C5H8O
• Molecular Weight: 84.1179
• DSSTox Substance ID: DTXSID40596073
• Nikkaji Number: J942.365F

Synonyms:3-Methylbut-1-en-1-one;3-methylbut-1-en-1-al;69009-29-6;DTXSID40596073;OXCVCJVUOYADBS-UHFFFAOYSA-N

Chemical Property of 3-Methylbut-1-en-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 68

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=C=O

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