Thallous malonate

C3H2O4Tl2CAS 2757-18-8510.80 g/mol

Open in Covalent MOL file
O−OO−OTl+Tl+
Carboxylic acid

Properties

Molecular formula
C3H2O4Tl2
Molar mass
510.80 g/mol
Exact mass
511.9442 Da
logP
-1.22Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2757-18-8
SMILES
[O-]C(=O)CC([O-])=O.[Tl+].[Tl+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Propanedioic acid, thallium(1+) salt (1:2)
  • Malonic acid, thallium salt (1:2)
  • Propanedioic acid, dithallium salt
  • Thallium malonate
  • Dithallium malonate

Work with Thallous malonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Malonic acid141-82-2Free acid Disodium malonate141-95-7Salt Disodium propanedioate hydrate26522-85-0Salt

Similar compounds

3-Oxobutanoic acid lithium salt3483-11-244 % similar Disodium succinate150-90-343 % similar Thallium(I) carbonate6533-73-942 % similar Potassium methyl malonate38330-80-239 % similar Sodium bromoacetate1068-52-638 % similar Trimethylglycine107-43-738 % similar Copper(II) glycinate13479-54-438 % similar Sodium propionate137-40-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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