5-Isobutylisoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-Isobutylisoxazole-3-carboxylic acid
• CAS No.: 150517-80-9
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40360695
• Wikidata: Q82142562
• Mol file: 150517-80-9.mol

Synonyms:150517-80-9;5-isobutylisoxazole-3-carboxylic acid;5-(2-methylpropyl)-1,2-oxazole-3-carboxylic Acid;5-Isobutyl-isoxazole-3-carboxylic acid;3-Isoxazolecarboxylicacid,5-(2-methylpropyl)-(9CI);3-Isoxazolecarboxylic acid, 5-(2-methylpropyl)-;SCHEMBL1128727;DTXSID40360695;CHMDISUDXFJSLN-UHFFFAOYSA-N;5-isobutylisoxazole-3-carboxylicacid;MFCD04113974;STL145044;5-Isobutyl-3-isoxazolecarboxylic acid;AKOS003673446;LS-09342;BB 0253924;EN300-261374;5-isobutyl-isoxazole-3-carboxylic acid, AldrichCPR

Chemical Property of 5-Isobutylisoxazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 321.1°C at 760 mmHg
• Flash Point: 148°C
• PSA: 63.33000
• Density: 1.173g/cm³
• LogP: 1.57130
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

5-isobutylisoxazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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