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Molecule
Phosphoric Acid, Beryllium Salt (1:1)
CAS: 13598-15-7 · H3BeO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13598-15-7
- Molecular Formula
- H3BeO4P
- Molecular Mass
- 107.01 g/mol
Identifiers
CAS Registry Number
13598-15-7
SMILES
O=P(O)(O)O.[Be]
InChI Key
VEGALPFWFTWICU-UHFFFAOYSA-N
InChI
InChI=1S/Be.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Phosphoric Acid, Beryllium Salt (1:1) Systematic Name
- Phosphoric acid, beryllium salt (1:1) Synonym
- Beryllium phosphate (BeHPO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.01 g/mol | CAS Common Chemistry |
| 107.00599999999999 g/mol | RDKit | |
| 107.006 g/mol | RDKit | |
| 109.022 g/mol | chempirical lib | |
| Canonical SMILES | [Be].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Be.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VEGALPFWFTWICU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphoric acid, beryllium salt (1:1) | 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 | 106.989077406 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 107.01 g/mol. Edit any field — others recompute live.
