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Molecule
Iodine Pentoxide
CAS: 12029-98-0 · I2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12029-98-0
- Molecular Formula
- I2O5
- Molecular Mass
- 333.80 g/mol
Identifiers
CAS Registry Number
12029-98-0
SMILES
[O-][I+2]([O-])O[I+2]([O-])[O-]
InChI Key
BIZCJSDBWZTASZ-UHFFFAOYSA-N
InChI
InChI=1S/I2O5/c3-1(4)7-2(5)6
Names and Synonyms
- Iodine Pentoxide Common Name
- Iodine oxide (I2O5) Synonym
- Iodine pentoxide Synonym
- Iodine pentoxide (I2O5) Synonym
- Diiodine pentaoxide Synonym
- Diiodine pentoxide Synonym
- Iodic acid anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 333.80 g/mol | CAS Common Chemistry |
| 333.803 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodine_pentoxide | CAS Common Chemistry |
| Canonical SMILES | O=I(=O)OI(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/I2O5/c3-1(4)7-2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=BIZCJSDBWZTASZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iodine pentoxide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 101.47 Ų | RDKit |
| LogP | -10.8164 | RDKit |
| Molar Refractivity | 1.085 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 333.7835190999999 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
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 = 333.80 g/mol. Edit any field — others recompute live.
