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Home > Fluorides > 122279-97-4
122279-97-4 | Propanedioic acid, 2-[2-[1-[(2,2,2-trifluoroacetyl)oxy]ethoxy]ethyl]-, 1,3-diethyl ester
CAS No: 122279-97-4 Catalog No: AG00170X MDL No:
Product Description
Catalog Number:
AG00170X
Chemical Name:
Propanedioic acid, 2-[2-[1-[(2,2,2-trifluoroacetyl)oxy]ethoxy]ethyl]-, 1,3-diethyl ester
CAS Number:
122279-97-4
Molecular Formula:
C13H19F3O7
Molecular Weight:
344.2810
IUPAC Name:
diethyl 2-[2-[1-(2,2,2-trifluoroacetyl)oxyethoxy]ethyl]propanedioate
InChI:
InChI=1S/C13H19F3O7/c1-4-20-10(17)9(11(18)21-5-2)6-7-22-8(3)23-12(19)13(14,15)16/h8-9H,4-7H2,1-3H3
InChI Key:
ROOVNUVWNBNTRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CCOC(OC(=O)C(F)(F)F)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.283g/mol
Monoisotopic Mass:
344.108g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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