3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid
• CAS No.: 845781-36-4
• Molecular Formula: C13H16O3
• Molecular Weight: 220.26
• DSSTox Substance ID: DTXSID10374981
• Mol file: 845781-36-4.mol

Synonyms:845781-36-4;3-METHYL-5-(3-METHYLPHENYL)-5-OXOVALERIC ACID;3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid;3-Methyl-5-oxo-5-(m-tolyl)pentanoic acid;5-(3-Methylphenyl)-3-methyl-5-oxovaleric acid;DTXSID10374981;MFCD06201662;AKOS016022627;3-Methyl-5-oxo-5-(m-tolyl)pentanoicacid;3-Methyl-5-oxo-5-m-tolyl-pentanoic acid

Chemical Property of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid

Chemical Property:

• Vapor Pressure: 3.41E-07mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

3-Methyl-5-(3-methylphenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)CC(C)CC(=O)O