1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;butanoate

2.1.2 InChI

InChI=1S/2C4H8O2.Ca/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2

2.1.3 InChI Key

FYPVXEILSNEKOO-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCC(=O)[O-].CCCC(=O)[O-].[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

RM32SJB09D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5743-36-2

2. Calcium Dibutyrate

3. Butanoic Acid, Calcium Salt

4. Calcium;butanoate

5. Calcium Dibutanoate

6. Rm32sjb09d

7. Calciumbutyrate

8. Butyric Acid, Calcium Salt

9. Unii-rm32sjb09d

10. Einecs 227-265-7

11. Dibutyric Acid Calcium Salt

12. Greencab 70 Coated

13. Schembl123022

14. Dtxsid90206019

15. Calcium Butyrate [who-dd]

16. Akos015842903

17. Cs-0188375

18. Ft-0623381

19. D84277

20. Q27288183

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄CaO₄
Molecular Weight	214.27 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	214.0517998 g/mol
Monoisotopic Mass	214.0517998 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	44
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

Calcium Butyrate

Calcium Butyrate

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