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Nitric Acid, Beryllium Salt, Trihydrate
CAS: 7787-55-5 | H3BeNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-55-5
Molecular Formula:
H3BeNO4
Molecular Weight:
90.03899999999999 g/mol
Names and Synonyms:
Nitric Acid, Beryllium Salt, Trihydrate
Common Name
Beryllium nitrate trihydrate
Synonym
Nitric acid, beryllium salt, trihydrate
Synonym
Identifiers:
SMILES:
O.O=[N+]([O-])O.[Be]
InChI:
InChI=1S/Be.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 90.04 g/mol | Legacy Database |
| cas-canonical-smile | [Be].O=N(=O)O.O None | Legacy Database |
| cas-inchi | InChI=1S/Be.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=NDZXDJBXTRYURR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Nitric acid, beryllium salt, trihydrate None | Legacy Database |
| LogP | -1.5532000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.03899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.01838977599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 94.87 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.1487 | RDKit |