5-(3,5-Dimethylphenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 5-(3,5-Dimethylphenyl)-5-oxovaleric acid
• CAS No.: 845790-45-6
• Molecular Formula: C13H16O3
• Molecular Weight: 220.26
• DSSTox Substance ID: DTXSID10374421
• Wikidata: Q82163009
• Mol file: 845790-45-6.mol

Synonyms:5-(3,5-Dimethylphenyl)-5-oxovaleric acid;845790-45-6;5-(3,5-dimethylphenyl)-5-oxopentanoic acid;DTXSID10374421;MFCD01320053;AKOS016022453;5-(3,5-dimethylphenyl)-5-oxopentanoicacid;5-(3,5-Dimethyl-phenyl)-5-oxo-pentanoic acid;5-(3,5-Dimethylphenyl)-5-oxovaleric acid, AldrichCPR

Chemical Property of 5-(3,5-Dimethylphenyl)-5-oxovaleric acid

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• PKA: 4.63±0.10(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

5-(3,5-dimethylphenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

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