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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 Weight:
60.084 g/mol
Names and Synonyms:
Cristobalite
BF 115
Sibelite M 8000
BF 07
Silbond 4000AST
Sibelite M 0072
Sibelite M 0010
Sicron SF 4000
M 72
XPF 6
Sihelco B 2500
Silbond 3000MST
Belcron B 6000
Silbond 006MST
SF 4000
Sibelite M 3000
Sibelite M 4000
Sibelite M 6000
Sibelco B 0012
WGL 300
Crysvarl
43-63C
Metacristobalite
W 006
α-Crystobalite
Cristoballite
Crystoballite
α-Cristobalite
Crystobalite
Cristobalite
Cristobalite (SiO2)
Identifiers:
SMILES:
O=[Si]=O
InChI:
InChI=1S/O2Si/c1-3-2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 60.084 g/mol | RDKit |
| Exact | Exact Molecular Weight | 59.966755770000006 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 34.14 Ų | RDKit |
| Physical Properties | LogP | -0.6184000000000001 | RDKit |
| molecular_mass | 60.08 g/mol | Legacy Database | |
| density | 2.30 g/cm³ | Legacy Database | |
| cas-boiling-point | 2230 °C | Legacy Database | |
| cas-canonical-smile | O=[Si]=O | Legacy Database | |
| cas-density | 2.3 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/O2Si/c1-3-2 | Legacy Database | |
| cas-inchi-key | InChIKey=VYPSYNLAJGMNEJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 1713 °C | Legacy Database | |
| cas-name | Cristobalite | Legacy Database | |
| Molar | Molar Refractivity | 7.126999999999999 | RDKit |
