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Molecule
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 Mass
- 90.04 g/mol
Identifiers
CAS Registry Number
7787-55-5
SMILES
O.O=[N+]([O-])O.[Be]
InChI Key
NDZXDJBXTRYURR-UHFFFAOYSA-N
InChI
InChI=1S/Be.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2
Names and Synonyms
- Nitric Acid, Beryllium Salt, Trihydrate Systematic Name
- Nitric acid, beryllium salt, trihydrate Synonym
- Beryllium nitrate trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.04 g/mol | CAS Common Chemistry |
| 90.03899999999999 g/mol | RDKit | |
| 90.039 g/mol | RDKit | |
| 92.055 g/mol | chempirical lib | |
| Canonical SMILES | [Be].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Be.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDZXDJBXTRYURR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nitric acid, beryllium salt, trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.87 Ų | RDKit |
| LogP | -1.5532000000000004 | RDKit |
| -1.5532 | RDKit | |
| Molar Refractivity | 18.1487 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 90.01838977599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 90.04 g/mol. Edit any field — others recompute live.
