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Molecule
Tetrahydroxydiboron
CAS: 13675-18-8 · H4B2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13675-18-8
- Molecular Formula
- H4B2O4
- Molecular Mass
- 89.65 g/mol
Identifiers
CAS Registry Number
13675-18-8
SMILES
OB(O)B(O)O
InChI Key
SKOWZLGOFVSKLB-UHFFFAOYSA-N
InChI
InChI=1S/B2H4O4/c3-1(4)2(5)6/h3-6H
Names and Synonyms
- Tetrahydroxydiboron Common Name
- Diborane(4), 1,1,2,2-tetrahydroxy- Synonym
- Diborane(4), tetrahydroxy- Synonym
- Hypoboric acid Synonym
- Subboric acid Synonym
- Tetrahydroxydiborane(4) Synonym
- Tetrahydroxydiborane Synonym
- Tetrahydroxydiboron Synonym
- Diboronic acid Synonym
- Diboron tetrahydroxide Synonym
- (Dihydroxyboranyl)boronic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.65 g/mol | CAS Common Chemistry |
| 89.65199999999999 g/mol | RDKit | |
| 90.029569408 g/mol | RDKit | |
| 89.652 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydroxydiboron | CAS Common Chemistry |
| Canonical SMILES | OB(O)B(O)O | CAS Common Chemistry |
| InChI | InChI=1S/B2H4O4/c3-1(4)2(5)6/h3-6H | CAS Common Chemistry |
| InChI Key | InChIKey=SKOWZLGOFVSKLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diboronic acid | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.92 Ų | RDKit |
| LogP | -2.9896000000000003 | RDKit |
| -2.9896 | RDKit | |
| Molar Refractivity | 20.3832 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 89.648 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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MW = 89.65 g/mol. Edit any field — others recompute live.
