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Molecule
Lead Diacetate Trihydrate
CAS: 6080-56-4 · C2H6O3Pb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6080-56-4
- Molecular Formula
- C2H6O3Pb
- Molecular Mass
- 285.27 g/mol
Identifiers
CAS Registry Number
6080-56-4
SMILES
CC(=O)O.O.[Pb]
InChI Key
ATQIWGVXMGLXBT-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.H2O.Pb/c1-2(3)4;;/h1H3,(H,3,4);1H2;
Names and Synonyms
- Lead Diacetate Trihydrate Common Name
- Acetic acid, lead(2+) salt, trihydrate Synonym
- Lead diacetate trihydrate Synonym
- Lead acetate trihydrate (Pb(OAc)2.3H2O) Synonym
- Lead(II) acetate trihydrate Synonym
- Plumbous acetate trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.27 g/mol | CAS Common Chemistry |
| 286.008346152 g/mol | RDKit | |
| 285.267 g/mol | RDKit | |
| 287.283 g/mol | chempirical lib | |
| Density | 2.55 g/cm³ | CAS Common Chemistry |
| 2.55 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Pb].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.H2O.Pb/c1-2(3)4;;/h1H3,(H,3,4);1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=ATQIWGVXMGLXBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | Lead diacetate trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.8 Ų | RDKit |
| LogP | -1.1146 | RDKit |
| Molar Refractivity | 22.677599999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 285.267 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 285.27 g/mol; density = 2.550 g/mL. Edit any field — others recompute live.
