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Molecule
Bismuth Phosphate
CAS: 10049-01-1 · H3BiO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10049-01-1
- Molecular Formula
- H3BiO4P
- Molecular Mass
- 306.97 g/mol
Identifiers
CAS Registry Number
10049-01-1
SMILES
O=P(O)(O)O.[Bi]
InChI Key
LGUJZAHTSAGVMX-UHFFFAOYSA-N
InChI
InChI=1S/Bi.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Bismuth Phosphate Common Name
- Phosphoric acid, bismuth(3+) salt (1:1) Synonym
- Bismuth phosphate (Bi(PO4)) Synonym
- Bismuth orthophosphate Synonym
- Bismuth phosphate Synonym
- Bismugel Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.97 g/mol | CAS Common Chemistry |
| 306.974 g/mol | RDKit | |
| 309.998 g/mol | chempirical lib | |
| Density | 6.32 g/cm³ | CAS Common Chemistry |
| 6.323 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Canonical SMILES | [Bi].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Bi.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=LGUJZAHTSAGVMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth 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 | 306.957293906 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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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 = 306.97 g/mol; density = 6.320 g/mL. Edit any field — others recompute live.
