5-tert-butylfuran-2-carboxylic Acid

Base Information

• Chemical Name: 5-tert-butylfuran-2-carboxylic Acid
• CAS No.: 56311-39-8
• Molecular Formula: C₉H₁₂O₃
• Molecular Weight: 168.192
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80403873
• Wikidata: Q82207734
• Mol file: 56311-39-8.mol

Synonyms:56311-39-8;5-tert-butylfuran-2-carboxylic Acid;5-TERT-BUTYL-2-FUROIC ACID;5-(tert-butyl)furan-2-carboxylic acid;5-(tert-Butyl)furan-2-carboxylicacid;2-tertbutyl 5-furanoic acid;SCHEMBL3225051;DTXSID80403873;5-t-butylfuran-2-carboxylic acid;JWZMCIVGRRFEEX-UHFFFAOYSA-N;MFCD00094279;AKOS003392419;AT32626;AM807204;LS-03503;CS-0315827;FT-0683236;EN300-329232;A869974

Chemical Property of 5-tert-butylfuran-2-carboxylic Acid

Chemical Property:

• PSA: 50.44000
• LogP: 2.27530
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-tert-butyl-2-furoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(O1)C(=O)O