RefChem:1063697

2-methyl-3-[[2,4,6-triiodo-3-(1-morpholin-4-ylethylideneamino)benzoyl]amino]propanoic acid

CAS: 51934-76-0

Molecular Formula	`C17H20I3N3O4`
Molecular Weight	711.1 g/mol
LogP	2.5
Topological Polar Surface Area	91.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	710.8588
Heavy Atoms	27
Complexity	572.0

Chemical Identifiers

CAS Number	51934-76-0
SMILES	`CC(CNC(=O)C1=C(C(=C(C=C1I)I)N=C(C)N2CCOCC2)I)C(=O)O`
InChIKey	`OUMSIYHSIIRHKR-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1063697 (CAS: 51934-76-0) is a chemical compound with molecular formula C17H20I3N3O4 and molecular weight 711.1 g/mol. Its IUPAC systematic name is 2-methyl-3-[[2,4,6-triiodo-3-(1-morpholin-4-ylethylideneamino)benzoyl]amino]propanoic acid. LogP 2.5 Topological Polar Surface Area 91.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 710.8588 Heavy Atoms 27 Complexity 572.0 InChI Key: OUMSIYHSIIRHKR-UHFFFAOYSA-N. SMILES: CC(CNC(=O)C1=C(C(=C(C=C1I)I)N=C(C)N2CCOCC2)I)C(=O)O.

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