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Home > Fluorides > 1039878-72-2
1039878-72-2 | 5-[4-(Trifluoromethoxy)phenyl]-5-oxovaleric acid
CAS No: 1039878-72-2 Catalog No: AG01F9F0 MDL No:
Product Description
Catalog Number:
AG01F9F0
Chemical Name:
5-[4-(Trifluoromethoxy)phenyl]-5-oxovaleric acid
CAS Number:
1039878-72-2
Molecular Formula:
C12H11F3O4
Molecular Weight:
276.2085
IUPAC Name:
5-oxo-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
InChI:
InChI=1S/C12H11F3O4/c13-12(14,15)19-9-6-4-8(5-7-9)10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,17,18)
InChI Key:
HTWDISYUEAGTMF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OC(F)(F)F)CCCC(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.211g/mol
Monoisotopic Mass:
276.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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