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Sodium Dihydrogen Phosphate Dihydrate
CAS: 13472-35-0 | H7NaO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13472-35-0
Molecular Formula:
H7NaO6P
Molecular Mass:
157.01 g/mol
Names and Synonyms:
Sodium Dihydrogen Phosphate Dihydrate
Phosphoric acid, sodium salt, hydrate (1:1:2)
Phosphoric acid, monosodium salt, dihydrate
Sodium dihydrogen phosphate dihydrate
Monosodium phosphate dihydrate
Sodium phosphate (NaH2PO4) dihydrate
Monosodium dihydrogen phosphate dihydrate
Identifiers:
SMILES:
O.O.O=P(O)(O)O.[Na]
InChI:
InChI=1S/Na.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 | 157.01 g/mol | CAS Common Chemistry |
| 157.014 g/mol | RDKit | |
| 156.987793854 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UTYPQJKNTDECGD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium dihydrogen phosphate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | -2.9588000000000005 | RDKit |
| Molar Refractivity | 27.2445 | RDKit |
