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Sodium Dihydrogen Phosphate Monohydrate
CAS: 10049-21-5 | H5NaO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10049-21-5
Molecular Formula:
H5NaO5P
Molecular Weight:
138.99899999999997 g/mol
Names and Synonyms:
Sodium Dihydrogen Phosphate Monohydrate
Phosphoric acid, monosodium salt, monohydrate
Monosodium phosphate monohydrate
Sodium dihydrogen phosphate monohydrate
Monobasic sodium phosphate monohydrate
Sodium phosphate monobasic monohydrate
Identifiers:
SMILES:
O.O=P(O)(O)O.[Na]
InChI:
InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 139.00 g/mol | Legacy Database |
| density | 1.82 g/cm³ | Legacy Database |
| cas-canonical-smile | [Na].O=P(O)(O)O.O None | Legacy Database |
| cas-density | 1.82 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AXCRQNJHVGYJII-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium dihydrogen phosphate monohydrate None | Legacy Database |
| LogP | -2.1341 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.99899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.97722917 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 109.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.630699999999997 | RDKit |
