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Molecule
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 Mass
- 50.76 g/mol
Identifiers
CAS Registry Number
13453-69-5
SMILES
O=BO.[Li]
InChI Key
NNOIVVAUKOEOFY-UHFFFAOYSA-N
InChI
InChI=1S/BHO2.Li/c2-1-3;/h2H;
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 50.76 g/mol | CAS Common Chemistry |
| 50.75900000000001 g/mol | RDKit | |
| 51.02296422199999 g/mol | RDKit | |
| 51.765 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_metaborate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=BO | CAS Common Chemistry |
| InChI | InChI=1S/BHO2.Li/c2-1-3;/h2H; | CAS Common Chemistry |
| InChI Key | InChIKey=NNOIVVAUKOEOFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium metaborate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -1.4374000000000002 | RDKit |
| -1.4374 | RDKit | |
| Molar Refractivity | 14.4133 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 50.759 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 50.76 g/mol. Edit any field — others recompute live.
