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21762-28-7 | 2-[3-(2-Oxopiperidino)-2,4,6-triiodophenyl]propionic acid sodium salt
CAS No: 21762-28-7 Catalog No: AG00CBG5 MDL No:
Product Description
Catalog Number:
AG00CBG5
Chemical Name:
2-[3-(2-Oxopiperidino)-2,4,6-triiodophenyl]propionic acid sodium salt
CAS Number:
21762-28-7
IUPAC Name:
2-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoic acid
InChI:
InChI=1S/C14H14I3NO3/c1-7(14(20)21)11-8(15)6-9(16)13(12(11)17)18-5-3-2-4-10(18)19/h6-7H,2-5H2,1H3,(H,20,21)
InChI Key:
GGSLRDDBWSZXMZ-UHFFFAOYSA-N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.811g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
624.983g/mol
Monoisotopic Mass:
624.811g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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