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1566-06-9 | Benzeneheptanoic acid, 4-fluoro-γ,ζ-dioxo-
CAS No: 1566-06-9 Catalog No: AG001OU9 MDL No:MFCD03119616
Product Description
Catalog Number:
AG001OU9
Chemical Name:
Benzeneheptanoic acid, 4-fluoro-γ,ζ-dioxo-
CAS Number:
1566-06-9
Molecular Formula:
C13H13FO4
Molecular Weight:
252.2383
MDL Number:
MFCD03119616
IUPAC Name:
7-(4-fluorophenyl)-4,7-dioxoheptanoic acid
InChI:
InChI=1S/C13H13FO4/c14-10-3-1-9(2-4-10)12(16)7-5-11(15)6-8-13(17)18/h1-4H,5-8H2,(H,17,18)
InChI Key:
KMZDIGSNWYUHIH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)CCC(=O)CCC(=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:
252.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.241g/mol
Monoisotopic Mass:
252.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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