Metrizoic acid

3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid

CAS: 1949-45-7

Molecular Formula	`C12H11I3N2O4`
Molecular Weight	627.94 g/mol
LogP	1.9
Topological Polar Surface Area	86.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	627.7853
Heavy Atoms	21
Complexity	448.0

Chemical Identifiers

CAS Number	1949-45-7
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I`
InChIKey	`GGGDNPWHMNJRFN-UHFFFAOYSA-N`

📖 Product Overview

Metrizoic acid (CAS: 1949-45-7) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.94 g/mol. Its IUPAC systematic name is 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid. LogP 1.9 Topological Polar Surface Area 86.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 627.7853 Heavy Atoms 21 Complexity 448.0 InChI Key: GGGDNPWHMNJRFN-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.

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