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Lithium Metaborate
CAS: 13453-69-5 | HBLiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13453-69-5
Molecular Formula:
HBLiO2
Molecular Weight:
50.75900000000001 g/mol
Names and Synonyms:
Lithium Metaborate
Synonym
Boric acid (HBO2), lithium salt (1:1)
Synonym
Boric acid (HBO2), lithium salt
Synonym
Lithium borate (LiBO2)
Synonym
Lithium metaborate (LiBO2)
Synonym
Boron lithium oxide (BLiO2)
Synonym
Lithium borate
Synonym
Lithium metaborate
Synonym
Spectroflux 100A
Synonym
Lithium boron oxide (LiBO2)
Synonym
Lithium borate (Li2(BO2)2)
Synonym
Lithium borate (Li(BO2))
Synonym
Identifiers:
SMILES:
O=BO.[Li]
InChI:
InChI=1S/BHO2.Li/c2-1-3;/h2H;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 50.76 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_metaborate None | Legacy Database |
| cas-canonical-smile | [Li].O=BO None | Legacy Database |
| cas-inchi | InChI=1S/BHO2.Li/c2-1-3;/h2H; None | Legacy Database |
| cas-inchi-key | InChIKey=NNOIVVAUKOEOFY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium metaborate None | Legacy Database |
| wikipedia-name | Lithium metaborate None | Legacy Database |
| LogP | -1.4374000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 50.75900000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 51.02296422199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.4133 | RDKit |