5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid
• CAS No.: 905809-10-1
• Molecular Formula: C12H11NO4
• Molecular Weight: 233.22
• DSSTox Substance ID: DTXSID101212112
• Mol file: 905809-10-1.mol

Synonyms:5-methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid;905809-10-1;5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxylic acid;MFCD06805569;DTXSID101212112;BBL038214;STK256658;AKOS000265863;LS-01708;EN300-92876;5-Methyl-4-phenoxymethylisoxazole-3-carboxylic acid;5-Methyl-4-(phenoxymethyl)-3-isoxazolecarboxylic acid;5-methyl-4-(phenoxymethyl)isoxazole-3-carboxylicacid;5-Methyl-4-(phenoxymethyl)-3-isoxazolecarboxylic acid, AldrichCPR

Chemical Property of 5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 233.06880783
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C(=O)O)COC2=CC=CC=C2