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Lithium Borate
CAS: 12007-60-2 | BLiO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12007-60-2
Molecular Formula:
BLiO
Molecular Mass:
33.75 g/mol
Names and Synonyms:
Lithium Borate
Boron lithium oxide (B4Li2O7)
Boric acid (H2B4O7), dilithium salt
Lithium tetraborate (Li2B4O7)
Lithium borate (Li2B4O7)
Lithium boron oxide (Li2B4O7)
Dilithium tetraborate
Lithium borate
Lithium tetraborate
Dilithium tetraborate (Li2B4O7)
Li2B4O7
Identifiers:
SMILES:
[B].[Li].[O]
InChI:
InChI=1S/B.Li.O
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 | 33.75 g/mol | CAS Common Chemistry |
| 33.752 g/mol | RDKit | |
| 34.020224569999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_borate | CAS Common Chemistry |
| Canonical SMILES | [Li].[B].[O] | CAS Common Chemistry |
| InChI | InChI=1S/B.Li.O | CAS Common Chemistry |
| InChI Key | InChIKey=ZIPRQVBRGSUNDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Boron lithium oxide (B4Li2O7) | CAS Common Chemistry |
| Lithium borate | 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 | -0.8804000000000001 | RDKit |
| Molar Refractivity | 12.1945 | RDKit |
