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Monosodium Phosphate
CAS: 89140-32-9 | H3NaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89140-32-9
Molecular Formula:
H3NaO4P
Molecular Weight:
120.98399999999998 g/mol
Names and Synonyms:
Monosodium Phosphate
Phosphoric acid, sodium salt (1:1)
Phosphoric acid, monosodium salt
Monosodium phosphate
Sodium phosphate (Na(H2PO4))
Monobasic sodium phosphate
Dihydrogen sodium phosphate
Sodium dihydrogen orthophosphate
Sodium phosphate, monobasic
Sodium dihydrogen monophosphate
Monosodium dihydrogen orthophosphate
Sodium monobasic phosphate (NaH2PO4)
Sodium primary phosphate
Monosodium hydrogen phosphate
Sodium dihydrogen phosphate (NaH2PO4)
Sodium dihydrogen phosphate
Sodium hydrogen phosphate (NaH2PO4)
Monobasic sodium phosphate (NaH2PO4)
Dihydrogen monosodium phosphate
Sodium orthophosphate monobasic
Sodium monobasic phosphate
S 3139
Identifiers:
SMILES:
O=P(O)(O)O.[Na]
InChI:
InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.98399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.96666448600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | 77.76 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.3094000000000001 | RDKit |
| molecular_mass | 120.98 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=P(O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=NFIYTPYOYDDLGO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 60 °C None | Legacy Database |
| cas-name | Monosodium phosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.0169 | RDKit |
