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115724-80-6 | Propanoic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, (2R)-
CAS No: 115724-80-6 Catalog No: AG000GSH MDL No:
Product Description
Catalog Number:
AG000GSH
Chemical Name:
Propanoic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, (2R)-
CAS Number:
115724-80-6
Molecular Formula:
C5H7F3O5S
Molecular Weight:
236.1663
IUPAC Name:
methyl (2R)-2-(trifluoromethylsulfonyloxy)propanoate
InChI:
InChI=1S/C5H7F3O5S/c1-3(4(9)12-2)13-14(10,11)5(6,7)8/h3H,1-2H3/t3-/m1/s1
InChI Key:
GAIWVDWTECBESF-GSVOUGTGSA-N
SMILES:
COC(=O)[C@H](OS(=O)(=O)C(F)(F)F)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.161g/mol
Monoisotopic Mass:
235.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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