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16344-98-2 | 1(4H)-Pyridinepentanoic acid, 3,5-diiodo-4-oxo-
CAS No: 16344-98-2 Catalog No: AG001U4I MDL No:
Product Description
Catalog Number:
AG001U4I
Chemical Name:
1(4H)-Pyridinepentanoic acid, 3,5-diiodo-4-oxo-
CAS Number:
16344-98-2
Molecular Formula:
C10H11I2NO3
Molecular Weight:
447.0082
IUPAC Name:
5-(3,5-diiodo-4-oxopyridin-1-yl)pentanoic acid
InChI:
InChI=1S/C10H11I2NO3/c11-7-5-13(6-8(12)10(7)16)4-2-1-3-9(14)15/h5-6H,1-4H2,(H,14,15)
InChI Key:
QVAWNGWADTXLBI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cc(I)c(=O)c(c1)I
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.883g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.011g/mol
Monoisotopic Mass:
446.883g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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