Home Other Building Blocks 2-(acetyloxy)-3,3,3-trifluoropropanoic acid

2-(acetyloxy)-3,3,3-trifluoropropanoic acid

CAS No.:
156816-81-8
Catalog Number:
AG01AFWS
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
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Product Description
Catalog Number:
AG01AFWS
Chemical Name:
2-(acetyloxy)-3,3,3-trifluoropropanoic acid
CAS Number:
156816-81-8
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
MDL Number:
MFCD20645812
IUPAC Name:
2-acetyloxy-3,3,3-trifluoropropanoic acid
InChI:
InChI=1S/C5H5F3O4/c1-2(9)12-3(4(10)11)5(6,7)8/h3H,1H3,(H,10,11)
InChI Key:
RQNWFOJRLGQIQC-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(F)(F)F)C(=O)O
Properties
Complexity:
197  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
186.086g/mol
Monoisotopic Mass:
186.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties