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Home > Fluorides > 159598-04-6
159598-04-6 | 3-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-
CAS No: 159598-04-6 Catalog No: AG001R6Y MDL No:
Product Description
Catalog Number:
AG001R6Y
Chemical Name:
3-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-
CAS Number:
159598-04-6
Molecular Formula:
C8H13F3O2
Molecular Weight:
198.1828
IUPAC Name:
6,6,6-trifluoro-5-hydroxy-2,2-dimethylhexan-3-one
InChI:
InChI=1S/C8H13F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h6,13H,4H2,1-3H3
InChI Key:
UUIWXKMULYUCRX-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)CC(=O)C(C)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.185g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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