1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;2-carboxybenzenecarboperoxoate

2.1.2 InChI

InChI=1S/2C8H6O5.Mg/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;/h2*1-4,12H,(H,9,10);/q;;+2/p-2

2.1.3 InChI Key

PIOZZBNFRIZETM-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

YN884S965H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Magnesium Monoperoxophthalate

2. Magnesium Monoperoxyphthalate

3. Mmpp

2.3.2 Depositor-Supplied Synonyms

1. Magnesium Monoperoxyphthalate

2. Mmpp

3. 78948-87-5

4. Yn884s965h

5. Magnesium Monoperoxyphthalate,hexahydrate

6. Magnesium Bis(monoperoxyphthalate) Hexahydrate

7. Monoperoxyphthalic Acid Magnesium Salt Hexahydrate

8. Interox H-48

9. 84665-66-7

10. Magnesium Monoperoxyphthalate [mi]

11. M0927

12. Q15634092

13. Magnesate(2-), Bis(2-carboxybenzenecarboperoxoato(2-)-.kappa.oo,.kappa.o')-, Hydrogen (1:2), (t-4)-

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₀MgO₁₀
Molecular Weight	386.55 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	386.0124382 g/mol
Monoisotopic Mass	386.0124382 g/mol
Topological Polar Surface Area	173 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	213
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

Magnesium Monoperoxyphthalate