About Trioxidan-1-ide
Trioxidan-1-ide (PubChem CID 22955401) has the molecular formula HO3-
and a molecular weight of 49.01 g/mol.
Molecular Properties
| Compound Name | Trioxidan-1-ide |
|---|
| PubChem CID | 22955401 |
|---|
| Molecular Formula | HO3- |
|---|
| Molecular Weight | 49.01 g/mol |
|---|
| Exact Mass | 48.99 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [O-]OO |
|---|
| InChI | InChI=1S/H2O3/c1-3-2/h1-2H/p-1 |
|---|
| InChIKey | JSPLKZUTYZBBKA-UHFFFAOYSA-M |
|---|
| XLogP | -1.25 |
|---|
| TPSA | 52.52 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 3 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 49.01 |
| LogP ≤ 5 | -1.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of Trioxidan-1-ide?
The IUPAC name of Trioxidan-1-ide (CID 22955401) is not available.
What is the SMILES notation for Trioxidan-1-ide?
The canonical SMILES for Trioxidan-1-ide is [O-]OO.
What is the InChIKey of Trioxidan-1-ide?
The InChIKey is JSPLKZUTYZBBKA-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O3/c1-3-2/h1-2H/p-1.
What are the key properties of Trioxidan-1-ide?
Trioxidan-1-ide has a molecular weight of 49.01 g/mol, XLogP of -1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Trioxidan-1-ide is sourced from PubChem (CID 22955401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).