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Boron Phosphate
CAS: 13308-51-5 | BO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13308-51-5
Molecular Formula:
BO4P
Molecular Mass:
105.78 g/mol
Names and Synonyms:
Boron Phosphate
Boron phosphate (B(PO4))
Boron phosphate (1:1)
Boron orthophosphate
Boron phosphate
Budit 321
Budit 326
B 13-04
Identifiers:
SMILES:
O=P12OB(O1)O2
InChI:
InChI=1S/BO4P/c2-6-3-1(4-6)5-6
Key Properties
Density
2.82 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.78 g/mol | CAS Common Chemistry |
| 105.782 g/mol | RDKit | |
| 105.96272551000001 g/mol | RDKit | |
| Density | 2.82 g/cm³ | CAS Common Chemistry |
| 2.82 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P12OB(O1)O2 | CAS Common Chemistry |
| InChI | InChI=1S/BO4P/c2-6-3-1(4-6)5-6 | CAS Common Chemistry |
| InChI Key | InChIKey=RKVCQBPDVHFKCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Boron phosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 0.15639999999999987 | RDKit |
| Molar Refractivity | 16.6155 | RDKit |
