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Home > Fluorides > 116206-92-9
116206-92-9 | Pentanoic acid, 2-acetyl-4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester
CAS No: 116206-92-9 Catalog No: AG000BXB MDL No:
Product Description
Catalog Number:
AG000BXB
Chemical Name:
Pentanoic acid, 2-acetyl-4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester
CAS Number:
116206-92-9
Molecular Formula:
C9H9F5O4
Molecular Weight:
276.1574
IUPAC Name:
ethyl 2-acetyl-4,4,5,5,5-pentafluoro-3-oxopentanoate
InChI:
InChI=1S/C9H9F5O4/c1-3-18-7(17)5(4(2)15)6(16)8(10,11)9(12,13)14/h5H,3H2,1-2H3
InChI Key:
ZTSKKENNWDQPHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(C(F)(F)F)(F)F)C(=O)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.159g/mol
Monoisotopic Mass:
276.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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