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Silica Hydrate (1:?)
CAS: 10279-57-9 | H2O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10279-57-9
Molecular Formula:
H2O3Si
Molecular Weight:
78.099 g/mol
Names and Synonyms:
Silica Hydrate (1:?)
Common Name
Elfadent SM 514
Synonym
Silica hydrate (1:?)
Synonym
Silica, hydrate
Synonym
Silica, hydrate (1:?)
Synonym
Kyoto Opal
Synonym
H-Magadiite
Synonym
Silicon dioxide hydrate
Synonym
Identifiers:
SMILES:
O.O=[Si]=O
InChI:
InChI=1S/O2Si.H2O/c1-3-2;/h;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 | 78.10 g/mol | Legacy Database |
| cas-canonical-smile | O=[Si]=O.O None | Legacy Database |
| cas-inchi | InChI=1S/O2Si.H2O/c1-3-2;/h;1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LRCFXGAMWKDGLA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Silica hydrate (1:?) None | Legacy Database |
| LogP | -1.4431 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.099 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 77.977320454 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 65.64 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.740799999999998 | RDKit |