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Disodium Hydrogen Phosphate Dihydrate
CAS: 10028-24-7 | H7Na2O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10028-24-7
Molecular Formula:
H7Na2O6P
Molecular Mass:
180.00 g/mol
Names and Synonyms:
Disodium Hydrogen Phosphate Dihydrate
Phosphoric acid, disodium salt, dihydrate
Disodium orthophosphate dihydrate
Disodium hydrogen phosphate dihydrate
Disodium monohydrogen phosphate dihydrate
Sodium phosphate (Na2HPO4) dihydrate
Disodium phosphate dihydrate
Identifiers:
SMILES:
O.O.O=P(O)(O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.00 g/mol | CAS Common Chemistry |
| 180.00400000000002 g/mol | RDKit | |
| 179.97756313399998 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YGWRBKUWPNQCPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium hydrogen phosphate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 140.76 Ų | RDKit |
| LogP | -3.3396000000000003 | RDKit |
| Molar Refractivity | 32.9985 | RDKit |
