CAS 52009-14-0

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Also known as: 52009-14-0, Calcium 2-oxopropanoate, Calcium pyruvate, anhydrous, Calcium;2-oxopropanoate, Pyruvic acid calcium salt, anhydrous, Propanoic acid, 2-oxo-, calcium salt

Molecular Formula

C₆H₆CaO₆

Molecular Weight

214.19 g/mol

InChI Key

UZWMCCLZMHPPKW-UHFFFAOYSA-L

FDA UNII

9V2CQZ19N4

1 2D Structure

CAS 52009-14-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;2-oxopropanoate

2.1.2 InChI

InChI=1S/2C3H4O3.Ca/c2*1-2(4)3(5)6;/h2*1H3,(H,5,6);/q;;+2/p-2

2.1.3 InChI Key

UZWMCCLZMHPPKW-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC(=O)C(=O)[O-].CC(=O)C(=O)[O-].[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

9V2CQZ19N4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 52009-14-0

2. Calcium 2-oxopropanoate

3. Calcium Pyruvate, Anhydrous

4. Calcium;2-oxopropanoate

5. Pyruvic Acid Calcium Salt, Anhydrous

6. Propanoic Acid, 2-oxo-, Calcium Salt

7. 9v2cqz19n4

8. Propanoic Acid, 2-oxo-, Calcium Salt (2:1)

9. Unii-9v2cqz19n4

10. 2-oxo-propanoic Acid Calcium Salt

11. Einecs 257-599-9

12. Mfcd00037199

13. Calcium2-oxopropanoate

14. Schembl240885

15. Calcium 2-oxidanylidenepropanoate

16. Dtxsid30199976

17. Calcium Pyruvate [who-dd]

18. Amy25702

19. Bcp13503

20. Bis(2-oxopropanoic Acid)calcium Salt

21. Akos015901775

22. Akos015963184

23. Ac-20029

24. As-12630

25. Ft-0640040

26. H11289

27. A828881

28. Acetamide, 2,2,2-trichloro-n-(4-fluorophenyl)-

29. Q27273262

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₆CaO₆
Molecular Weight	214.19 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	213.9790288 g/mol
Monoisotopic Mass	213.9790288 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	78.5
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

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