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23217-81-4 | Benzeneacetic acid, 3-(acetylamino)-2,4,6-triiodo-α-methyl-
CAS No: 23217-81-4 Catalog No: AG002MK8 MDL No:
Product Description
Catalog Number:
AG002MK8
Chemical Name:
Benzeneacetic acid, 3-(acetylamino)-2,4,6-triiodo-α-methyl-
CAS Number:
23217-81-4
Molecular Formula:
C11H10I3NO3
Molecular Weight:
584.9154
IUPAC Name:
2-(3-acetamido-2,4,6-triiodophenyl)propanoic acid
InChI:
InChI=1S/C11H10I3NO3/c1-4(11(17)18)8-6(12)3-7(13)10(9(8)14)15-5(2)16/h3-4H,1-2H3,(H,15,16)(H,17,18)
InChI Key:
NMAGEGBGCORVJO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(I)cc(c(c1I)C(C(=O)O)C)I
Properties
Complexity:
340
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:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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