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Molecule
Zinc Dihydrogen Phosphate
CAS: 13598-37-3 · H3O4PZn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13598-37-3
- Molecular Formula
- H3O4PZn
- Molecular Mass
- 163.38 g/mol
Identifiers
CAS Registry Number
13598-37-3
SMILES
O=P(O)(O)O.[Zn]
InChI Key
OXHXATNDTXVKAU-UHFFFAOYSA-N
InChI
InChI=1S/H3O4P.Zn/c1-5(2,3)4;/h(H3,1,2,3,4);
Names and Synonyms
- Zinc Dihydrogen Phosphate Common Name
- Phosphoric acid, zinc salt (2:1) Synonym
- Zinc phosphate (Zn(H2PO4)2) Synonym
- Zinc diacid phosphate Synonym
- Zinc dihydrogen phosphate Synonym
- Zinc bis(dihydrogen phosphate) Synonym
- Monobasic zinc phosphate Synonym
- Zinc dihydrogen phosphate (Zn(H2PO4)2) Synonym
- Zinc hydrogen phosphate (Zn(H2PO4)2) Synonym
- Zinc phosphate (1:2) Synonym
- Zinc primary phosphate Synonym
- Zinc dihydrophosphate Synonym
- Z 21-82 Synonym
- Budit T 21 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.38 g/mol | CAS Common Chemistry |
| 163.384 g/mol | RDKit | |
| 165.39 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O4P.Zn/c1-5(2,3)4;/h(H3,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=OXHXATNDTXVKAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zinc dihydrogen 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 | -0.9311 | RDKit |
| Molar Refractivity | 14.262899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.90603740600002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 163.38 g/mol. Edit any field — others recompute live.
