Ioglicic acid

3-acetamido-2,4,6-triiodo-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid

CAS: 49755-67-1

Molecular Formula	`C13H12I3N3O5`
Molecular Weight	670.96 g/mol
LogP	1.2
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	670.7911
Heavy Atoms	24
Complexity	533.0

Chemical Identifiers

CAS Number	49755-67-1
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(=O)NC)I`
InChIKey	`HHFIATHHSBFCBY-UHFFFAOYSA-N`

📖 Product Overview

Ioglicic acid (CAS: 49755-67-1) is a chemical compound with molecular formula C13H12I3N3O5 and molecular weight 670.96 g/mol. Its IUPAC systematic name is 3-acetamido-2,4,6-triiodo-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid. LogP 1.2 Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 670.7911 Heavy Atoms 24 Complexity 533.0 InChI Key: HHFIATHHSBFCBY-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(=O)NC)I.

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