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1456-51-5 | Benzenepropanoic acid, 3-(acetylamino)-2,4,6-triiodo-
CAS No: 1456-51-5 Catalog No: AG001D7T MDL No:
Product Description
Catalog Number:
AG001D7T
Chemical Name:
Benzenepropanoic acid, 3-(acetylamino)-2,4,6-triiodo-
CAS Number:
1456-51-5
Molecular Formula:
C11H10I3NO3
Molecular Weight:
584.9154
IUPAC Name:
3-[3-(2-amino-2-oxoethyl)-2,4,6-triiodophenyl]propanoic acid
InChI:
InChI=1S/C11H10I3NO3/c12-7-4-8(13)6(3-9(15)16)11(14)5(7)1-2-10(17)18/h4H,1-3H2,(H2,15,16)(H,17,18)
InChI Key:
WVKMPQHDQHWOKE-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(I)cc(c(c1I)NC(=O)C)I
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.779g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
584.918g/mol
Monoisotopic Mass:
584.779g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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