3-(3-amino-2,4,6-triiodophenyl)propanoic acid

CAS: 1206-91-3

Molecular Formula	`C9H8I3NO2`
Molecular Weight	542.88 g/mol
LogP	2.9
Topological Polar Surface Area	63.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	542.7689
Heavy Atoms	15
Complexity	239.0

Chemical Identifiers

CAS Number	1206-91-3
SMILES	`C1=C(C(=C(C(=C1I)N)I)CCC(=O)O)I`
InChIKey	`BVDHMFVGWNGIQE-UHFFFAOYSA-N`

📖 Product Overview

3-(3-amino-2,4,6-triiodophenyl)propanoic acid (CAS: 1206-91-3) is a chemical compound with molecular formula C9H8I3NO2 and molecular weight 542.88 g/mol. Its IUPAC systematic name is 3-(3-amino-2,4,6-triiodophenyl)propanoic acid. LogP 2.9 Topological Polar Surface Area 63.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 542.7689 Heavy Atoms 15 Complexity 239.0 InChI Key: BVDHMFVGWNGIQE-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)N)I)CCC(=O)O)I.

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