CID 12715024

Base Information

• Chemical Name: CID 12715024
• CAS No.: 77044-59-8
• Molecular Formula: C6H8O4
• Molecular Weight: 144.127
• DSSTox Substance ID: DTXSID001032951
• Nikkaji Number: J121.416K

Synonyms:77044-59-8;SCHEMBL10036927;DTXSID001032951;(E)-4-Methoxy-2-methyl-4-oxobut-2-enoic acid

Chemical Property of CID 12715024

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

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MSDS Files:

Useful:

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

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