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Molecule
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
Identifiers
CAS Registry Number
13472-35-0
SMILES
O.O.O=P(O)(O)O.[Na]
InChI Key
UTYPQJKNTDECGD-UHFFFAOYSA-N
InChI
InChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2
Names and Synonyms
- Sodium Dihydrogen Phosphate Dihydrate Synonym
- Phosphoric acid, sodium salt, hydrate (1:1:2) Synonym
- Phosphoric acid, monosodium salt, dihydrate Synonym
- Sodium dihydrogen phosphate dihydrate Synonym
- Monosodium phosphate dihydrate Synonym
- Sodium phosphate (NaH2PO4) dihydrate Synonym
- Monosodium dihydrogen phosphate dihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.01 g/mol | CAS Common Chemistry |
| 157.014 g/mol | RDKit | |
| 158.022 g/mol | chempirical lib | |
| 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 |
| -2.9588 | RDKit | |
| Molar Refractivity | 27.2445 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 156.987793854 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 157.01 g/mol. Edit any field — others recompute live.
