2-Acetyl-3-methylbut-3-en-1-yl acetate

Base Information

• Chemical Name: 2-Acetyl-3-methylbut-3-en-1-yl acetate
• CAS No.: 61345-97-9
• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.208
• DSSTox Substance ID: DTXSID40606343

Synonyms:61345-97-9;2-Acetyl-3-methylbut-3-en-1-yl acetate;SCHEMBL11599537;DTXSID40606343;DMQWBRJUOPURAS-UHFFFAOYSA-N;2-methyl-3-acetoxymethyl-pent-1-en-4-one

Chemical Property of 2-Acetyl-3-methylbut-3-en-1-yl acetate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(COC(=O)C)C(=O)C

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