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Molecule
Monosodium Phosphate
CAS: 89140-32-9 · H3NaO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89140-32-9
- Molecular Formula
- H3NaO4P
- Molecular Mass
- 120.98 g/mol
Identifiers
CAS Registry Number
89140-32-9
SMILES
O=P(O)(O)O.[Na]
InChI Key
NFIYTPYOYDDLGO-UHFFFAOYSA-N
InChI
InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Monosodium Phosphate Synonym
- Phosphoric acid, sodium salt (1:1) Synonym
- Phosphoric acid, monosodium salt Synonym
- Monosodium phosphate Synonym
- Sodium phosphate (Na(H2PO4)) Synonym
- Monobasic sodium phosphate Synonym
- Dihydrogen sodium phosphate Synonym
- Sodium dihydrogen orthophosphate Synonym
- Sodium phosphate, monobasic Synonym
- Sodium dihydrogen monophosphate Synonym
- Monosodium dihydrogen orthophosphate Synonym
- Sodium monobasic phosphate (NaH2PO4) Synonym
- Sodium primary phosphate Synonym
- Monosodium hydrogen phosphate Synonym
- Sodium dihydrogen phosphate (NaH2PO4) Synonym
- Sodium dihydrogen phosphate Synonym
- Sodium hydrogen phosphate (NaH2PO4) Synonym
- Monobasic sodium phosphate (NaH2PO4) Synonym
- Dihydrogen monosodium phosphate Synonym
- Sodium orthophosphate monobasic Synonym
- Sodium monobasic phosphate Synonym
- S 3139 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.98 g/mol | CAS Common Chemistry |
| 120.98399999999998 g/mol | RDKit | |
| 120.984 g/mol | RDKit | |
| 121.992 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NFIYTPYOYDDLGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | Monosodium phosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.3094000000000001 | RDKit |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 120.96666448600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 120.98 g/mol. Edit any field — others recompute live.
