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1443311-28-1 | 5-Oxo-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]valeric acid
CAS No: 1443311-28-1 Catalog No: AG01F7C1 MDL No:
Product Description
Catalog Number:
AG01F7C1
Chemical Name:
5-Oxo-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]valeric acid
CAS Number:
1443311-28-1
Molecular Formula:
C13H12F4O4
Molecular Weight:
308.2256
IUPAC Name:
5-oxo-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentanoic acid
InChI:
InChI=1S/C13H12F4O4/c14-12(15)13(16,17)21-9-4-1-3-8(7-9)10(18)5-2-6-11(19)20/h1,3-4,7,12H,2,5-6H2,(H,19,20)
InChI Key:
PZVXFDGPXTZRAR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1cccc(c1)OC(C(F)F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.229g/mol
Monoisotopic Mass:
308.067g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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