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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: Potassium tetraoxalate, 6100-20-5, Potassium trihydrogen dioxalate, 127-96-8, Potassium tetroxalate dihydrate, Ethanedioic acid, potassium salt, hydrate (2:1:2)

Molecular Formula

C₄H₃KO₈

Molecular Weight

218.16 g/mol

InChI Key

GANDVAJEIJXBQJ-UHFFFAOYSA-M

1 2D Structure

Oxalic Acid Hemipotaium Salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;2-hydroxy-2-oxoacetate;oxalic acid

2.1.2 InChI

InChI=1S/2C2H2O4.K/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+1/p-1

2.1.3 InChI Key

GANDVAJEIJXBQJ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.[K+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Potassium Tetraoxalate

2. 6100-20-5

3. Potassium Trihydrogen Dioxalate

4. 127-96-8

5. Potassium Tetroxalate Dihydrate

6. Ethanedioic Acid, Potassium Salt, Hydrate (2:1:2)

7. Oxalic Acid Hemipotassium Salt

8. Potassium Tetroxalate Dihydrate [mi]

9. Potassium Trihydrogen Dioxalate Dihydrate

10. Potassium Oxalate (kh3(c2o4)2) Dihydrate

11. Oq8r5z714t

12. Unii-oq8r5z714t

13. Kaliumtetraoxalat

14. Schembl5517108

15. Dtxsid30889421

16. P0475

17. Potassium;2-hydroxy-2-oxoacetate;oxalic Acid

18. Q9352834

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₄H₃KO₈
Molecular Weight	218.16 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	217.94649853 g/mol
Monoisotopic Mass	217.94649853 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3