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16345-00-9 | 1(4H)-Pyridineoctanoic acid, 3,5-diiodo-4-oxo-
CAS No: 16345-00-9 Catalog No: AG001U4G MDL No:
Product Description
Catalog Number:
AG001U4G
Chemical Name:
1(4H)-Pyridineoctanoic acid, 3,5-diiodo-4-oxo-
CAS Number:
16345-00-9
Molecular Formula:
C13H17I2NO3
Molecular Weight:
489.0879
IUPAC Name:
8-(3,5-diiodo-4-oxopyridin-1-yl)octanoic acid
InChI:
InChI=1S/C13H17I2NO3/c14-10-8-16(9-11(15)13(10)19)7-5-3-1-2-4-6-12(17)18/h8-9H,1-7H2,(H,17,18)
InChI Key:
PWAYCYFVSQNRFZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCn1cc(I)c(=O)c(c1)I
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.93g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
489.092g/mol
Monoisotopic Mass:
488.93g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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