IOCETAMIC ACID
3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid
| Molecular Formula | C12H13I3N2O3 |
|---|---|
| Molecular Weight | 613.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 83.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 613.806 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 16034-77-8 |
|---|---|
| SMILES | CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O |
| InChIKey | GSVQIUGOUKJHRC-UHFFFAOYSA-N |
📖 Product Overview
IOCETAMIC ACID (CAS: 16034-77-8) is a chemical compound with molecular formula C12H13I3N2O3 and molecular weight 613.96 g/mol. Its IUPAC systematic name is 3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid.
GSVQIUGOUKJHRC-UHFFFAOYSA-N.
SMILES: CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O.
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