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Home > Fluorides > 141562-02-9
141562-02-9 | 3-Hexyn-2-one, 1,1,1-trifluoro-5-methoxy-5-methyl-
CAS No: 141562-02-9 Catalog No: AG001GLD MDL No:
Product Description
Catalog Number:
AG001GLD
Chemical Name:
3-Hexyn-2-one, 1,1,1-trifluoro-5-methoxy-5-methyl-
CAS Number:
141562-02-9
Molecular Formula:
C8H9F3O2
Molecular Weight:
194.1511
IUPAC Name:
1,1,1-trifluoro-5-methoxy-5-methylhex-3-yn-2-one
InChI:
InChI=1S/C8H9F3O2/c1-7(2,13-3)5-4-6(12)8(9,10)11/h1-3H3
InChI Key:
ODHQRQWYEZKBRJ-UHFFFAOYSA-N
SMILES:
COC(C#CC(=O)C(F)(F)F)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.153g/mol
Monoisotopic Mass:
194.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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