Back to Search
Molecule
Barium Borate
CAS: 13701-59-2 · HBBaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13701-59-2
- Molecular Formula
- HBBaO2
- Molecular Mass
- 181.15 g/mol
Identifiers
CAS Registry Number
13701-59-2
SMILES
O=BO.[Ba]
InChI Key
BPEDUBGDYRCWOC-UHFFFAOYSA-N
InChI
InChI=1S/BHO2.Ba/c2-1-3;/h2H;
Names and Synonyms
- Barium Borate Common Name
- Boric acid (HBO2), barium salt (2:1) Synonym
- Boric acid (HBO2), barium salt Synonym
- Barium borate (BaB2O4) Synonym
- Barium metaborate Synonym
- Barium boron oxide (BaB2O4) Synonym
- Butrol 11M1 Synonym
- Busan 11M1 Synonym
- Barium diborate Synonym
- Barium metaborate (BaB2O4) Synonym
- Barium borate Synonym
- BBO Synonym
- BBO (optical crystal) Synonym
- β-Barium metaborate Synonym
- Barium hypoborate (BaB2O4) Synonym
- α-Barium metaborate Synonym
- Busan 11 Synonym
- Barium borate (Ba(BO2)2) Synonym
- BM 325 Synonym
- FB 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.15 g/mol | CAS Common Chemistry |
| 181.14600000000002 g/mol | RDKit | |
| 181.91220687199998 g/mol | RDKit | |
| 183.159 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_borate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=BO | CAS Common Chemistry |
| InChI | InChI=1S/BHO2.Ba/c2-1-3;/h2H; | CAS Common Chemistry |
| InChI Key | InChIKey=BPEDUBGDYRCWOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium 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 | 181.146 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
Convert
Quick conversion
MW = 181.15 g/mol. Edit any field — others recompute live.
