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Molecule
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 Mass
- 78.10 g/mol
Identifiers
CAS Registry Number
10279-57-9
SMILES
O.O=[Si]=O
InChI Key
LRCFXGAMWKDGLA-UHFFFAOYSA-N
InChI
InChI=1S/O2Si.H2O/c1-3-2;/h;1H2
Names and Synonyms
- Silica Hydrate (1:?) Common Name
- Silica, hydrate (1:?) Synonym
- Silica, hydrate Synonym
- Silica hydrate (1:?) Synonym
- Silicon dioxide hydrate Synonym
- H-Magadiite Synonym
- Kyoto Opal Synonym
- Elfadent SM 514 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.10 g/mol | CAS Common Chemistry |
| 78.099 g/mol | RDKit | |
| Canonical SMILES | O=[Si]=O.O | CAS Common Chemistry |
| InChI | InChI=1S/O2Si.H2O/c1-3-2;/h;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LRCFXGAMWKDGLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silica hydrate (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.64 Ų | RDKit |
| LogP | -1.4431 | RDKit |
| Molar Refractivity | 10.740799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 77.977320454 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 78.10 g/mol. Edit any field — others recompute live.
