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Home > Fluorides > 116206-91-8
116206-91-8 | Pentanoic acid, 2-acetyl-4,4,5,5-tetrafluoro-3-oxo-, ethyl ester
CAS No: 116206-91-8 Catalog No: AG000BXC MDL No:
Product Description
Catalog Number:
AG000BXC
Chemical Name:
Pentanoic acid, 2-acetyl-4,4,5,5-tetrafluoro-3-oxo-, ethyl ester
CAS Number:
116206-91-8
Molecular Formula:
C9H10F4O4
Molecular Weight:
258.1669
IUPAC Name:
ethyl 2-acetyl-4,4,5,5-tetrafluoro-3-oxopentanoate
InChI:
InChI=1S/C9H10F4O4/c1-3-17-7(16)5(4(2)14)6(15)9(12,13)8(10)11/h5,8H,3H2,1-2H3
InChI Key:
YOWXKCSKSWUXPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(C(F)F)(F)F)C(=O)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.169g/mol
Monoisotopic Mass:
258.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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