Home Other Building Blocks 2-(2,2,2-trifluoroethyl)propanedioic acid

2-(2,2,2-trifluoroethyl)propanedioic acid

CAS No.:
99783-24-1
Catalog Number:
AG01C327
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
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Product Description
Catalog Number:
AG01C327
Chemical Name:
2-(2,2,2-trifluoroethyl)propanedioic acid
CAS Number:
99783-24-1
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
MDL Number:
MFCD20644798
IUPAC Name:
2-(2,2,2-trifluoroethyl)propanedioic acid
InChI:
InChI=1S/C5H5F3O4/c6-5(7,8)1-2(3(9)10)4(11)12/h2H,1H2,(H,9,10)(H,11,12)
InChI Key:
MHYPGYJSBKDVGX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)CC(F)(F)F
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.086g/mol
Monoisotopic Mass:
186.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties