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Molecule
Lead Oxide Phosphonate (Pb3O2(Hpo3))
CAS: 12141-20-7 · HO4PPb-2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12141-20-7
- Molecular Formula
- HO4PPb-2
- Molecular Mass
- 303.18 g/mol
Identifiers
CAS Registry Number
12141-20-7
SMILES
O=[PH]([O-])[O-].[O].[Pb]
InChI Key
IPVQUBFXRUVRSX-UHFFFAOYSA-L
InChI
InChI=1S/H3O3P.O.Pb/c1-4(2)3;;/h4H,(H2,1,2,3);;/p-2
Names and Synonyms
- Lead Oxide Phosphonate (Pb3O2(Hpo3)) Synonym
- Lead oxide phosphonate (Pb3O2(HPO3)) Synonym
- Lead oxide phosphite Synonym
- Dibasic lead phosphite Synonym
- L-FOS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.18 g/mol | CAS Common Chemistry |
| 303.93899440182 g/mol | RDKit | |
| 303.178 g/mol | RDKit | |
| 307.21 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Pb].O=P([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/H3O3P.O.Pb/c1-4(2)3;;/h4H,(H2,1,2,3);;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=IPVQUBFXRUVRSX-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Lead oxide phosphonate (Pb3O2(HPO3)) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 91.69 Ų | RDKit |
| LogP | -2.4029000000000003 | RDKit |
| -2.4029 | RDKit | |
| Molar Refractivity | 15.441999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -2 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 303.178 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 303.18 g/mol. Edit any field — others recompute live.
