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Molecule
Lead Titanate
CAS: 12060-00-3 · OPbTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12060-00-3
- Molecular Formula
- OPbTi
- Molecular Mass
- 271.07 g/mol
Identifiers
CAS Registry Number
12060-00-3
SMILES
[O].[Pb].[Ti]
InChI Key
ODSDIFQETSZEIU-UHFFFAOYSA-N
InChI
InChI=1S/O.Pb.Ti
Names and Synonyms
- Lead Titanate Synonym
- Lead titanium oxide (PbTiO3) Synonym
- C.I. Pigment Yellow 47 Synonym
- Lead titanate Synonym
- Lead titanium trioxide Synonym
- Lead titanate (PbTiO3) Synonym
- Lead titanium trioxide (PbTiO3) Synonym
- Lead titanate (PbO.TiO2) Synonym
- Pigment Yellow 47 Synonym
- Toshiba C 24 Synonym
- EC 97 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.07 g/mol | CAS Common Chemistry |
| 271.91951302 g/mol | RDKit | |
| 271.066 g/mol | RDKit | |
| 277.114 g/mol | chempirical lib | |
| Density | 7.52 g/cm³ | CAS Common Chemistry |
| 7.52 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lead_titanate | CAS Common Chemistry |
| Canonical SMILES | [O].[Ti].[Pb] | CAS Common Chemistry |
| InChI | InChI=1S/O.Pb.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=ODSDIFQETSZEIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lead titanium oxide (PbTiO3) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 271.066 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 271.07 g/mol; density = 7.520 g/mL. Edit any field — others recompute live.
