5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid

Base Information

• Chemical Name: 5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid
• CAS No.: 845781-35-3
• Molecular Formula: C12H13FO3
• Molecular Weight: 224.23
• DSSTox Substance ID: DTXSID401256329
• Mol file: 845781-35-3.mol

Synonyms:5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid;5-(4-fluorophenyl)-3-methyl-5-oxopentanoic acid;845781-35-3;DTXSID401256329;AKOS012231621;5-(4-fluorophenyl)-3-methyl-5-oxopentanoicacid;4-Fluoro-beta-methyl-delta-oxobenzenepentanoic acid;5-(4-Fluoro-phenyl)-3-methyl-5-oxo-pentanoic acid

Chemical Property of 5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.08487243
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Fluorophenyl)-3-methyl-5-oxopentanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(=O)C1=CC=C(C=C1)F)CC(=O)O