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Home > Fluorides > 128101-68-8
128101-68-8 | 2-Butenedioic acid, 2-(trifluoromethyl)-, 4-ethyl 1-methyl ester, (2E)-
CAS No: 128101-68-8 Catalog No: AG000XTA MDL No:
Product Description
Catalog Number:
AG000XTA
Chemical Name:
2-Butenedioic acid, 2-(trifluoromethyl)-, 4-ethyl 1-methyl ester, (2E)-
CAS Number:
128101-68-8
Molecular Formula:
C8H9F3O4
Molecular Weight:
226.1499
IUPAC Name:
4-O-ethyl 1-O-methyl 2-(trifluoromethyl)but-2-enedioate
InChI:
InChI=1S/C8H9F3O4/c1-3-15-6(12)4-5(7(13)14-2)8(9,10)11/h4H,3H2,1-2H3
InChI Key:
SPGCMHRZACAZOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/C(F)(F)F)\C(=O)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.151g/mol
Monoisotopic Mass:
226.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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