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18931-64-1 | 5-Hexene-2,4-dione, 1,1,1-trifluoro-6-phenyl-
CAS No: 18931-64-1 Catalog No: AG002I9A MDL No:MFCD00760722
Product Description
Catalog Number:
AG002I9A
Chemical Name:
5-Hexene-2,4-dione, 1,1,1-trifluoro-6-phenyl-
CAS Number:
18931-64-1
Molecular Formula:
C12H9F3O2
Molecular Weight:
242.1939
MDL Number:
MFCD00760722
IUPAC Name:
(E)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione
InChI:
InChI=1S/C12H9F3O2/c13-12(14,15)11(17)8-10(16)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
InChI Key:
CSOPVKUECMSWBR-VOTSOKGWSA-N
SMILES:
O=C(CC(=O)C(F)(F)F)C=Cc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
242.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.197g/mol
Monoisotopic Mass:
242.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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