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| CAS No.: | 10140-65-5 |
|---|---|
| Name: | Phosphoric acid, disodium salt, hydrate |
| Molecular Structure: | |
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| Formula: | H3-O4-P.x-H2-O.2Na |
| Molecular Weight: | 0 |
| Synonyms: | sodium hydrogen phosphate hydrate (2:1:1);Sodium Phosphate, Dibasic; |
| Boiling Point: | 158 °C at 760 mmHg |
| Flash Point: | 1.41 mmHg at 25°C |
| PSA: | 102.46000 |
| LogP: | -0.11650 |
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Specification
The Phosphoric acid,disodium salt, hydrate (8CI,9CI), with the CAS registry number 10140-65-5, is also known as Sodium Phosphate, Dibasic. This chemical's molecular formula is H3-O4-P.x-H2-O.2Na. What's more, its systematic name is sodium hydrogen phosphate hydrate (2:1:1). Its classification codes are: Laxative.
Physical properties of Phosphoric acid,disodium salt, hydrate (8CI,9CI) are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.41; (4)ACD/LogD (pH 7.4): -6.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1 ; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 76.57 Å2; (11)Boiling Point: 158 °C at 760 mmHg; (12)Vapour Pressure: 1.41 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Na+].[Na+].[O-]P([O-])(=O)O.O
(2)InChI: InChI=1/2Na.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+1;;/p-2
(3)InChIKey: LVXHNCUCBXIIPE-NUQVWONBAL