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Home Other Building Blocks 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

CAS No.:
374-35-6
Catalog Number:
AG000F3U
Molecular Formula:
C4H5F3O3
Molecular Weight:
158.0759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$105
- +
5g
97%
1 week
United States
$239
- +
Product Description
Catalog Number:
AG000F3U
Chemical Name:
3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
CAS Number:
374-35-6
Molecular Formula:
C4H5F3O3
Molecular Weight:
158.0759
MDL Number:
MFCD00190646
IUPAC Name:
3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
InChI:
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)
InChI Key:
CTGJACFEVDCYMC-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)F)(O)C
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.076g/mol
Monoisotopic Mass:
158.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Comment on 'Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid' by R. Tonner, V. A. Soloshonok and P. Schwerdtfeger, Phys. Chem. Chem. Phys., 2011, 13, 811-817. Physical chemistry chemical physics : PCCP 20110307
Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid. Physical chemistry chemical physics : PCCP 20110121
Role of pyruvate dehydrogenase kinase 4 in regulation of blood glucose levels. Korean diabetes journal 20101001
Synthesis, characterization and evaluation of antileishmanial activity of copper(II) with fluorinated α-hydroxycarboxylate ligands. Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine 20091201
Properties