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Lead Arsenate (Pb3(Aso4)2)
CAS: 3687-31-8 | H3AsO4Pb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3687-31-8
Molecular Formula:
H3AsO4Pb
Molecular Mass:
349.14 g/mol
Names and Synonyms:
Lead Arsenate (Pb3(Aso4)2)
Arsenic acid (H3AsO4), lead(2+) salt (2:3)
Nu Rexform
Lead arsenate (Pb3(AsO4)2)
Lead arsenate
Lead(2+) orthoarsenate (Pb3(AsO4)2)
Identifiers:
SMILES:
O=[As](O)(O)O.[Pb]
InChI:
InChI=1S/AsH3O4.Pb/c2-1(3,4)5;/h(H3,2,3,4,5);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.14 g/mol | CAS Common Chemistry |
| 349.14199999999994 g/mol | RDKit | |
| 349.901382176 g/mol | RDKit | |
| 349.142 g/mol | RDKit | |
| 351.158 g/mol | chempirical lib | |
| Canonical SMILES | [Pb].O=[As](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.Pb/c2-1(3,4)5;/h(H3,2,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=CPYXDLDLCALSOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lead arsenate (Pb3(AsO4)2) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| 4 | chempirical lib | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.5514 | RDKit |
| -0.54 | chempirical lib | |
| Molar Refractivity | 18.8509 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
