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13089-11-7 | Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester
CAS No: 13089-11-7 Catalog No: AG000V2G MDL No:MFCD00114936
Product Description
Catalog Number:
AG000V2G
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester
CAS Number:
13089-11-7
Molecular Formula:
C4H3F3O3
Molecular Weight:
156.0600
MDL Number:
MFCD00114936
IUPAC Name:
methyl 3,3,3-trifluoro-2-oxopropanoate
InChI:
InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
InChI Key:
XGLLQDIWQRQROJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.003g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.06g/mol
Monoisotopic Mass:
156.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Joint experimental and DFT study of the gas-phase unimolecular elimination kinetic of methyl trifluoropyruvate. | The journal of physical chemistry. A 20100805 |
| Methyltrifluoropyruvate imines possessing N-oxalyl and N-phosphonoformyl groups--precursors to a variety of alpha-CF3-alpha-amino acid derivatives. | Organic & biomolecular chemistry 20061007 |
| Preparation and synthetic application of a novel ketene silyl acetal of methyl trifluoropyruvate. | The Journal of organic chemistry 20051028 |
| Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex. | Organic letters 20050303 |
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