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16345-01-0 | 1(4H)-Pyridineundecanoic acid, 3,5-diiodo-4-oxo-
CAS No: 16345-01-0 Catalog No: AG001U4F MDL No:
Product Description
Catalog Number:
AG001U4F
Chemical Name:
1(4H)-Pyridineundecanoic acid, 3,5-diiodo-4-oxo-
CAS Number:
16345-01-0
Molecular Formula:
C16H23I2NO3
Molecular Weight:
531.1677
IUPAC Name:
11-(3,5-diiodo-4-oxopyridin-1-yl)undecanoic acid
InChI:
InChI=1S/C16H23I2NO3/c17-13-11-19(12-14(18)16(13)22)10-8-6-4-2-1-3-5-7-9-15(20)21/h11-12H,1-10H2,(H,20,21)
InChI Key:
YWCQZPLOPABSQV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCn1cc(I)c(=O)c(c1)I
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.977g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.173g/mol
Monoisotopic Mass:
530.977g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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