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374-35-6 | Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-
CAS No: 374-35-6 Catalog No: AG000F3U MDL No:MFCD00190646
Product Description
Catalog Number:
AG000F3U
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-
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 |
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