3-(1,3-Benzodioxol-5-yl)but-3-en-2-one

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)but-3-en-2-one
• CAS No.: 77627-83-9
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.199
• DSSTox Substance ID: DTXSID601343817

Synonyms:3-(1,3-benzodioxol-5-yl)but-3-en-2-one;QFFMFPGEDLBDRQ-UHFFFAOYSA-N;DTXSID601343817;77627-83-9;3-(1,3-Benzodioxol-5-yl)-3-buten-2-one;3-[3,4-methylenedioxyphenyl]-3-buten-2-one

Chemical Property of 3-(1,3-Benzodioxol-5-yl)but-3-en-2-one

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 259

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C(=C)C1=CC2=C(C=C1)OCO2

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