(E)-Methyl 2-acetyloct-2-enoate

Base Information

• Chemical Name: (E)-Methyl 2-acetyloct-2-enoate
• CAS No.: 122590-38-9
• Molecular Formula: C₁₁H₁₈O₃
• Molecular Weight: 198.262
• European Community (EC) Number: 807-427-9
• DSSTox Substance ID: DTXSID401025568
• Mol file: 122590-38-9.mol

Synonyms:(E)-Methyl 2-acetyloct-2-enoate;SCHEMBL8099809;DTXSID401025568;228114-02-1

Chemical Property of (E)-Methyl 2-acetyloct-2-enoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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