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Structure

Oxalosuccinic acid barium salt

CAS
58823-93-1
Catalog Number
ACM58823931
Category
Other Products
Molecular Weight
325.42
Molecular Formula
C6H4BaO7

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Specification

Synonyms
OXALOSUCCINIC ACID BARIUM SALT;OXALSUCCINIC ACID, BARIUM SALT;barium oxalosuccinate;oxalosuccinic acid barium;2-Oxobutanedioic acid barium salt;Oxalosuccinic BariuM Salt
What is the IUPAC name of the compound?

The IUPAC name of the compound is barium(2+);2-(carboxymethyl)-3-oxobutanedioate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H6O7.Ba/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+2/p-2.

What is the InChIKey of the compound?

The InChIKey of the compound is CIVPYUFTSJMQBK-UHFFFAOYSA-L.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C(C(C(=O)C(=O)[O-])C(=O)[O-])C(=O)O.[Ba+2].

What is the molecular weight of the compound?

The molecular weight of the compound is 325.42 g/mol.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 7 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 2 rotatable bond count.

What is the exact mass of the compound?

The exact mass of the compound is 325.900950 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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