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Molecule
Cristobalite
CAS: 14464-46-1 · O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14464-46-1
- Molecular Formula
- O2Si
- Molecular Mass
- 60.08 g/mol
Identifiers
CAS Registry Number
14464-46-1
SMILES
O=[Si]=O
InChI Key
VYPSYNLAJGMNEJ-UHFFFAOYSA-N
InChI
InChI=1S/O2Si/c1-3-2
Names and Synonyms
- Cristobalite Common Name
- Cristobalite (SiO2) Synonym
- Cristobalite Synonym
- Crystobalite Synonym
- α-Cristobalite Synonym
- Crystoballite Synonym
- Cristoballite Synonym
- α-Crystobalite Synonym
- W 006 Synonym
- Metacristobalite Synonym
- 43-63C Synonym
- Crysvarl Synonym
- WGL 300 Synonym
- Sibelco B 0012 Synonym
- Sibelite M 6000 Synonym
- Sibelite M 4000 Synonym
- Sibelite M 3000 Synonym
- SF 4000 Synonym
- Silbond 006MST Synonym
- Belcron B 6000 Synonym
- Silbond 3000MST Synonym
- Sihelco B 2500 Synonym
- XPF 6 Synonym
- M 72 Synonym
- Sicron SF 4000 Synonym
- Sibelite M 0010 Synonym
- Sibelite M 0072 Synonym
- Silbond 4000AST Synonym
- BF 07 Synonym
- BF 115 Synonym
- Sibelite M 8000 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.3 g/cm3 | CAS Common Chemistry |
| 2.30 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 60.08 g/mol | CAS Common Chemistry |
| 60.084 g/mol | RDKit | |
| Boiling Point | 2230 °C | CAS Common Chemistry |
| Canonical SMILES | O=[Si]=O | CAS Common Chemistry |
| InChI | InChI=1S/O2Si/c1-3-2 | CAS Common Chemistry |
| InChI Key | InChIKey=VYPSYNLAJGMNEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1713 °C | CAS Common Chemistry |
| Name | Cristobalite | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | -0.6184000000000001 | RDKit |
| -0.6184 | RDKit | |
| -0.58 | chempirical lib | |
| Molar Refractivity | 7.126999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 59.966755770000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 60.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula O2Si.
