Home Other Building Blocks 4-(TRIFLUOROMETHYL)OXANE-2,6-DIONE

4-(TRIFLUOROMETHYL)OXANE-2,6-DIONE

CAS No.:
4759-65-3
Catalog Number:
AG01E71J
Molecular Formula:
C6H5F3O3
Molecular Weight:
182.0973
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Product Description
Catalog Number:
AG01E71J
Chemical Name:
4-(TRIFLUOROMETHYL)OXANE-2,6-DIONE
CAS Number:
4759-65-3
Molecular Formula:
C6H5F3O3
Molecular Weight:
182.0973
MDL Number:
MFCD19982023
IUPAC Name:
4-(trifluoromethyl)oxane-2,6-dione
InChI:
InChI=1S/C6H5F3O3/c7-6(8,9)3-1-4(10)12-5(11)2-3/h3H,1-2H2
InChI Key:
PTGCUXZHDCRLEE-UHFFFAOYSA-N
SMILES:
FC(C1CC(=O)OC(=O)C1)(F)F
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.098g/mol
Monoisotopic Mass:
182.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties