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| CAS No.: | 84133-21-1 |
|---|---|
| Name: | Magnesium monobenzyl malonate |
| Molecular Structure: | |
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| Formula: | C20H18MgO8 |
| Molecular Weight: | 410.66 |
| Synonyms: | Propanedioicacid, mono(phenylmethyl) ester, magnesium complex; |
| PSA: | 105.20000 |
| LogP: | 2.25480 |
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Specification
This chemical is called Magnesium monobenzyl malonate, and its systematic name is magnesium bis[3-(benzyloxy)-3-oxopropanoate]. With the molecular formula of C20H18MgO8, its molecular weight is 410.66. The CAS registry number of this chemical is 84133-21-1.
Other characteristics of the Magnesium monobenzyl malonate can be summarised as followings: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 132.86 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].[O-]C(=O)CC(=O)OCc1ccccc1.[O-]C(=O)CC(=O)OCc1ccccc1
(2)InChI: InChI=1/2C10H10O4.Mg/c2*11-9(12)6-10(13)14-7-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,11,12);/q;;+2/p-2
(3)InChIKey: HWOBBQVNZBIHFX-NUQVWONBAF
(4)Std. InChI: InChI=1S/2C10H10O4.Mg/c2*11-9(12)6-10(13)14-7-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,11,12);/q;;+2/p-2
(5)Std. InChIKey: HWOBBQVNZBIHFX-UHFFFAOYSA-L