3-Methyl-5-oxo-5-(2-thienyl)valeric acid

Base Information

• Chemical Name: 3-Methyl-5-oxo-5-(2-thienyl)valeric acid
• CAS No.: 845781-53-5
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.27
• DSSTox Substance ID: DTXSID301276211
• Mol file: 845781-53-5.mol

Synonyms:845781-53-5;3-Methyl-5-oxo-5-(2-thienyl)valeric acid;3-Methyl-5-oxo-5-(thiophen-2-yl)pentanoic acid;3-methyl-5-oxo-5-thiophen-2-yl-pentanoic Acid;SCHEMBL18906081;DTXSID301276211;3-methyl-4-(2-thenoyl)butyric acid;AKOS012232125;beta-Methyl-delta-oxo-2-thiophenepentanoic acid;3-Methyl-5-oxo-5-(thiophen-2-yl)pentanoicacid

Chemical Property of 3-Methyl-5-oxo-5-(2-thienyl)valeric acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-5-oxo-5-(thiophen-2-yl)pentanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(=O)C1=CC=CS1)CC(=O)O