1-Methyl-4-oxo-5-(prop-2-yn-1-yl)cyclopent-2-en-1-yl acetate

Base Information

• Chemical Name: 1-Methyl-4-oxo-5-(prop-2-yn-1-yl)cyclopent-2-en-1-yl acetate
• CAS No.: 90428-64-1
• Molecular Formula: C11H12O3
• DSSTox Substance ID: DTXSID90542767
• Mol file: 90428-64-1.mol

Synonyms:90428-64-1;SCHEMBL10626137;DTXSID90542767;RPCHZPHYUQVGCB-UHFFFAOYSA-N;1-Methyl-4-oxo-5-(prop-2-yn-1-yl)cyclopent-2-en-1-yl acetate;3-acetoxy-2-propargyl-3-methyl-4-cyclopentenone

Chemical Property of 1-Methyl-4-oxo-5-(prop-2-yn-1-yl)cyclopent-2-en-1-yl acetate

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(C=CC(=O)C1CC#C)C