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16344-99-3 | 1(4H)-Pyridinehexanoic acid, 3,5-diiodo-4-oxo-
CAS No: 16344-99-3 Catalog No: AG001U4H MDL No:
Product Description
Catalog Number:
AG001U4H
Chemical Name:
1(4H)-Pyridinehexanoic acid, 3,5-diiodo-4-oxo-
CAS Number:
16344-99-3
Molecular Formula:
C11H13I2NO3
Molecular Weight:
461.0348
IUPAC Name:
6-(3,5-diiodo-4-oxopyridin-1-yl)hexanoic acid
InChI:
InChI=1S/C11H13I2NO3/c12-8-6-14(7-9(13)11(8)17)5-3-1-2-4-10(15)16/h6-7H,1-5H2,(H,15,16)
InChI Key:
WGSJKRPLMADJHD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCn1cc(I)c(=O)c(c1)I
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.898g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.038g/mol
Monoisotopic Mass:
460.898g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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