Back to Search
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 Weight:
89.65199999999999 g/mol
Names and Synonyms:
Tetrahydroxydiboron
Common Name
(Dihydroxyboranyl)boronic acid
Synonym
Diboron tetrahydroxide
Synonym
Diboronic acid
Synonym
Tetrahydroxydiboron
Synonym
Tetrahydroxydiborane
Synonym
Tetrahydroxydiborane(4)
Synonym
Subboric acid
Synonym
Hypoboric acid
Synonym
Diborane(4), tetrahydroxy-
Synonym
Diborane(4), 1,1,2,2-tetrahydroxy-
Synonym
Identifiers:
SMILES:
OB(O)B(O)O
InChI:
InChI=1S/B2H4O4/c3-1(4)2(5)6/h3-6H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.65199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.029569408 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.9896000000000003 | RDKit |
| molecular_mass | 89.65 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetrahydroxydiboron None | Legacy Database |
| cas-canonical-smile | OB(O)B(O)O None | Legacy Database |
| cas-inchi | InChI=1S/B2H4O4/c3-1(4)2(5)6/h3-6H None | Legacy Database |
| cas-inchi-key | InChIKey=SKOWZLGOFVSKLB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Diboronic acid None | Legacy Database |
| wikipedia-name | Tetrahydroxydiboron None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.3832 | RDKit |