2-Methyl-4-oxobut-2-enoic acid

Base Information

• Chemical Name: 2-Methyl-4-oxobut-2-enoic acid
• CAS No.: 63170-47-8
• Molecular Formula: C5H6O3
• DSSTox Substance ID: DTXSID40705800

Synonyms:2-methyl-4-oxobut-2-enoic acid;63170-47-8;SCHEMBL1825208;SCHEMBL4949968;2methyl-4-oxobut-2-enoic acid;DTXSID40705800

Chemical Property of 2-Methyl-4-oxobut-2-enoic acid

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 114.031694049
• Heavy Atom Count: 8
• Complexity: 135

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=O)C(=O)O

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