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Home > Fluorides > 1206594-24-2
1206594-24-2 | 4-Ethoxy-3-(trifluoromethyl)cinnamic acid
CAS No: 1206594-24-2 Catalog No: AG01FBIU MDL No:
Product Description
Catalog Number:
AG01FBIU
Chemical Name:
4-Ethoxy-3-(trifluoromethyl)cinnamic acid
CAS Number:
1206594-24-2
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
IUPAC Name:
(E)-3-[4-ethoxy-3-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C12H11F3O3/c1-2-18-10-5-3-8(4-6-11(16)17)7-9(10)12(13,14)15/h3-7H,2H2,1H3,(H,16,17)/b6-4+
InChI Key:
WNOQTODUBHURAA-GQCTYLIASA-N
SMILES:
CCOc1ccc(cc1C(F)(F)F)/C=C/C(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
260.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.212g/mol
Monoisotopic Mass:
260.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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