2-Hexenoic acid, 2-methoxy-6-oxo-, methyl ester, (E)-

Base Information

• Chemical Name: 2-Hexenoic acid, 2-methoxy-6-oxo-, methyl ester, (E)-
• CAS No.: 129201-94-1
• Molecular Formula: C₈H₁₂O₄
• Molecular Weight: 172.181
• DSSTox Substance ID: DTXSID901214805

Synonyms:2-Hexenoic acid, 2-methoxy-6-oxo-, methyl ester, (E)-;DTXSID901214805;129201-94-1

Chemical Property of 2-Hexenoic acid, 2-methoxy-6-oxo-, methyl ester, (E)-

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=CCCC=O)C(=O)OC
• Isomeric SMILES: CO/C(=C/CCC=O)/C(=O)OC

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