Ioxitalamic acid

3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid

CAS: 28179-44-4

Molecular Formula	`C12H11I3N2O5`
Molecular Weight	643.94 g/mol
LogP	1.2
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	643.7802
Heavy Atoms	22
Complexity	450.0

Chemical Identifiers

CAS Number	28179-44-4
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I`
InChIKey	`OLAOYPRJVHUHCF-UHFFFAOYSA-N`

📖 Product Overview

Ioxitalamic acid (CAS: 28179-44-4) is a chemical compound with molecular formula C12H11I3N2O5 and molecular weight 643.94 g/mol. Its IUPAC systematic name is 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid. LogP 1.2 Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 643.7802 Heavy Atoms 22 Complexity 450.0 InChI Key: OLAOYPRJVHUHCF-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I.

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