5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid

Base Information

• Chemical Name: 5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid
• CAS No.: 1108712-48-6
• Molecular Formula: C7H9NO4
• Molecular Weight: 171.15
• DSSTox Substance ID: DTXSID20735105
• Wikidata: Q82679080
• Mol file: 1108712-48-6.mol

Synonyms:5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid;1108712-48-6;5-(methoxymethyl)-3-methyl-1,2-oxazole-4-carboxylic acid;SCHEMBL354660;DTXSID20735105;AKOS015950330;FT-0686100;A906391;J-516364;W-204745;5-(Methoxymethyl)-3-methylisoxazole-4-carboxylicacid

Chemical Property of 5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid

Chemical Property:

• PKA: -2.65±0.38(Predicted)
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 171.05315777
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

5-(Methoxymethyl)-3-methylisoxazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NOC(=C1C(=O)O)COC