(E)-4-methoxy-3-methyl-4-oxobut-2-enoic acid

Base Information

• Chemical Name: (E)-4-methoxy-3-methyl-4-oxobut-2-enoic acid
• CAS No.: 39529-95-8
• Molecular Formula: C₆H₈O₄
• Molecular Weight: 144.127
• DSSTox Substance ID: DTXSID001032068
• Nikkaji Number: J121.419E,J843.816A

Synonyms:(E)-4-methoxy-3-methyl-4-oxobut-2-enoic acid;39529-95-8;2-Methylfumaric acid 1-methyl ester;SCHEMBL599554;SCHEMBL7771328;DTXSID001032068;F96939;(2E)-4-Methoxy-3-methyl-4-oxo-2-butenoic acid

Chemical Property of (E)-4-methoxy-3-methyl-4-oxobut-2-enoic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)O)C(=O)OC
• Isomeric SMILES: C/C(=C\C(=O)O)/C(=O)OC

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