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28664-25-7 | Acetic acid, 2,2,2-trifluoro-, 3-phenyl-2-propen-1-yl ester
CAS No: 28664-25-7 Catalog No: AG002W0E MDL No:
Product Description
Catalog Number:
AG002W0E
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 3-phenyl-2-propen-1-yl ester
CAS Number:
28664-25-7
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
IUPAC Name:
3-phenylprop-2-enyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2
InChI Key:
UTCZANJRXCJUGL-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OCC=Cc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.186g/mol
Monoisotopic Mass:
230.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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