Home Other Building Blocks 4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid

4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid

CAS No.:
201483-14-9
Catalog Number:
AG01C48T
Molecular Formula:
C6H7F3O4
Molecular Weight:
200.1126
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Product Description
Catalog Number:
AG01C48T
Chemical Name:
4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid
CAS Number:
201483-14-9
Molecular Formula:
C6H7F3O4
Molecular Weight:
200.1126
MDL Number:
MFCD01884063
IUPAC Name:
4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid
InChI:
InChI=1S/C6H7F3O4/c7-6(8,9)3-13-5(12)2-1-4(10)11/h1-3H2,(H,10,11)
InChI Key:
WEFVNIMFBIHCCY-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)OCC(F)(F)F
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.113g/mol
Monoisotopic Mass:
200.03g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties