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CHEMISTRY
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Chemistry

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Also known as: Propanedioate, Malonate dianion, Malonic acid, ion(2-), Propanedioic acid, ion(2-), 156-80-9, Malonate ion

Molecular Formula

C₃H₂O₄-₂

Molecular Weight

102.05 g/mol

InChI Key

OFOBLEOULBTSOW-UHFFFAOYSA-L

FDA UNII

4N2NU7R76L

1 2D Structure

Malonic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propanedioate

2.1.2 InChI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

2.1.3 InChI Key

OFOBLEOULBTSOW-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(C(=O)[O-])C(=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

4N2NU7R76L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dithallium Malonate

2. Malonic Acid

3. Malonic Acid, 1,3-(14)c2-labeled

4. Malonic Acid, 2-(14)c-labeled

5. Malonic Acid, Diammonium Salt

6. Malonic Acid, Dipotassium Salt

7. Malonic Acid, Disodium Salt

8. Malonic Acid, Disodium Salt, 1-(14)c-labeled

9. Malonic Acid, Dithallium Salt

10. Malonic Acid, Monocalcium Salt

11. Malonic Acid, Monosodium Salt

12. Malonic Acid, Potassium Salt

13. Malonic Acid, Sodium Salt

14. Monosodium Malonate

15. Propanedioate

16. Thallium Malonate

17. Thallous Malonate

2.3.2 Depositor-Supplied Synonyms

1. Propanedioate

2. Malonate Dianion

3. Malonic Acid, Ion(2-)

4. Propanedioic Acid, Ion(2-)

5. 156-80-9

6. Malonate Ion

7. Malonate Ion(2-)

8. 4n2nu7r76l

9. Chembl359504

10. Malonate(2-)

11. Brn 3904386

12. Malo

13. Malonyl

14. Sodium; Malonate

15. Malonic Acid Dianion

16. Unii-4n2nu7r76l

17. 1,3-dioxidopropane-1,3-dione

18. Chebi:15792

19. Dtxsid10166020

20. (-)ooc-ch2-coo(-)

21. Bdbm50159797

22. Db02201

23. Bb 0254964

24. A807815

25. Q27093252

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₂O₄-₂
Molecular Weight	102.05 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	101.99530854 g/mol
Monoisotopic Mass	101.99530854 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	7
Formal Charge	-2
Complexity	72.1
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	1