tris(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate)indium(3+)

tris(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate);indium(3+)

CAS: 4194-69-8

Molecular Formula	`C18H21InO21`
Molecular Weight	688.2 g/mol
Topological Polar Surface Area	405.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	21
Rotatable Bonds	12
Exact Mass	687.9614
Heavy Atoms	40
Complexity	222.0

Chemical Identifiers

CAS Number	4194-69-8
SMILES	`C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.[In+3]`
InChIKey	`QJHIAYKJDVPZSR-UHFFFAOYSA-K`

📖 Product Overview

tris(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate)indium(3+) (CAS: 4194-69-8) is a chemical compound with molecular formula C18H21InO21 and molecular weight 688.2 g/mol. Its IUPAC systematic name is tris(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate);indium(3+). Topological Polar Surface Area 405.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 21 Rotatable Bonds 12 Exact Mass 687.9614 Heavy Atoms 40 Complexity 222.0 InChI Key: QJHIAYKJDVPZSR-UHFFFAOYSA-K. SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.[In+3].

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