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Home > Fluorides > 164342-38-5
164342-38-5 | 2,4-PENTANEDIONE, 3-(ETHOXYMETHYLENE)-1,1,1-TRIFLUORO-
CAS No: 164342-38-5 Catalog No: AG001UTN MDL No:
Product Description
Catalog Number:
AG001UTN
Chemical Name:
2,4-PENTANEDIONE, 3-(ETHOXYMETHYLENE)-1,1,1-TRIFLUORO-
CAS Number:
164342-38-5
Molecular Formula:
C8H9F3O3
Molecular Weight:
210.1505
IUPAC Name:
3-(ethoxymethylidene)-1,1,1-trifluoropentane-2,4-dione
InChI:
InChI=1S/C8H9F3O3/c1-3-14-4-6(5(2)12)7(13)8(9,10)11/h4H,3H2,1-2H3
InChI Key:
OAKSAOZUARKSRJ-UHFFFAOYSA-N
SMILES:
CCOC=C(C(=O)C(F)(F)F)C(=O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.152g/mol
Monoisotopic Mass:
210.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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