2-[1-(4-Chlorophenyl)-1-oxopropan-2-yl]propanedioic acid

Base Information

• Chemical Name: 2-[1-(4-Chlorophenyl)-1-oxopropan-2-yl]propanedioic acid
• CAS No.: 147819-14-5
• Molecular Formula: C12H11 Cl O5
• Molecular Weight: 270.66574
• DSSTox Substance ID: DTXSID50697601
• Mol file: 147819-14-5.mol

Synonyms:147819-14-5;2-[1-(4-chlorophenyl)-1-oxopropan-2-yl]propanedioic acid;2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID;DTXSID50697601;2-Carboxy-3-(4-chlorobenzoyl)butanoicacid;A808697;[1-(4-Chlorophenyl)-1-oxopropan-2-yl]propanedioic acid;2-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]propanedioic acid

Chemical Property of 2-[1-(4-Chlorophenyl)-1-oxopropan-2-yl]propanedioic acid

Chemical Property:

• PSA: 91.67000
• LogP: 1.94420
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 270.0295011
• Heavy Atom Count: 18
• Complexity: 332

Purity/Quality:

99%min ^*data from raw suppliers

2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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