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Home > Fluorides > 190669-50-2
190669-50-2 | 4-Pentenoic acid, 3-methyl-2-(2,2,2-trifluoroacetyl)-, ethyl ester
CAS No: 190669-50-2 Catalog No: AG002EQ5 MDL No:
Product Description
Catalog Number:
AG002EQ5
Chemical Name:
4-Pentenoic acid, 3-methyl-2-(2,2,2-trifluoroacetyl)-, ethyl ester
CAS Number:
190669-50-2
Molecular Formula:
C10H13F3O3
Molecular Weight:
238.2036
IUPAC Name:
ethyl 3-methyl-2-(2,2,2-trifluoroacetyl)pent-4-enoate
InChI:
InChI=1S/C10H13F3O3/c1-4-6(3)7(9(15)16-5-2)8(14)10(11,12)13/h4,6-7H,1,5H2,2-3H3
InChI Key:
GVKAXLDJGILBPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(F)(F)F)C(C=C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.206g/mol
Monoisotopic Mass:
238.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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