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| CAS No.: | 6132-05-4 |
|---|---|
| Name: | Disodium hydrogen citrate sesquihydrate |
| Molecular Structure: | |
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| Formula: | C6H8Na2O8 |
| Molecular Weight: | 526.224 |
| Synonyms: | Disodium 3-carboxy-3-hydroxy-pentanedioate hydrate; |
| EINECS: | 205-623-3 |
| Density: | 1.8580 g/cm3 (20 °C) |
| Melting Point: | 149 ºC |
| Solubility: | Soluble in water. |
| Appearance: | white fine crystalline powder |
| Safety: | 24/25 |
| PSA: | 147.02000 |
| LogP: | -3.98220 |
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Specification
The CAS registry number of Disodium hydrogen citrate sesquihydrate is 6132-05-4. Its EINECS registry number is 205-623-3. This chemical's molecular formula is C6H8Na2O8 and molecular weight is 254.1. What's more, its systematic name is called Disodium 3-carboxy-3-hydroxy-pentanedioate hydrate. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It can be used as analysis reagent, clinical trial and pharmaceutical.
Physical properties about Disodium hydrogen citrate sesquihydrate are: (1)#H bond acceptors: 8; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 147.02 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].O=C([O-])CC(O)(CC(=O)[O-])C(O)=O.O
(2) InChI: InChI=1/C6H8O7.2Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;1H2/q;2*+1;/p-2
(3) InChIKey: XNZQCYSOYHAYII-NUQVWONBAJ