2-Methylbuta-1,3-dien-1-one

Base Information

• Chemical Name: 2-Methylbuta-1,3-dien-1-one
• CAS No.: 83897-55-6
• Molecular Formula: C5H6O
• Molecular Weight: 82.102
• DSSTox Substance ID: DTXSID50513115

Synonyms:2-Methylbuta-1,3-dien-1-one;83897-55-6;isoprene ether;DTXSID50513115

Chemical Property of 2-Methylbuta-1,3-dien-1-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 82.041864811
• Heavy Atom Count: 6
• Complexity: 96.5

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CC(=C=O)C=C

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