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88699-88-1 | 5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERIC ACID
CAS No: 88699-88-1 Catalog No: AG0047FF MDL No:
Product Description
Catalog Number:
AG0047FF
Chemical Name:
5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERIC ACID
CAS Number:
88699-88-1
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
IUPAC Name:
5-oxo-5-[4-(trifluoromethyl)phenyl]pentanoic acid
InChI:
InChI=1S/C12H11F3O3/c13-12(14,15)9-6-4-8(5-7-9)10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,17,18)
InChI Key:
CLKRGSQBFRBDBS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)CCCC(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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