About carbon dioxide;hydrogen peroxide
carbon dioxide;hydrogen peroxide (PubChem CID 158697719) has the molecular formula CH2O4
and a molecular weight of 78.02 g/mol. Its IUPAC name is carbon dioxide;hydrogen peroxide.
Molecular Properties
| Compound Name | carbon dioxide;hydrogen peroxide |
|---|
| PubChem CID | 158697719 |
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| Molecular Formula | CH2O4 |
|---|
| Molecular Weight | 78.02 g/mol |
|---|
| Exact Mass | 78.00 |
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| IUPAC Name | carbon dioxide;hydrogen peroxide |
|---|
| SMILES | O=C=O.OO |
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| InChI | InChI=1S/CO2.H2O2/c2-1-3;1-2/h;1-2H |
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| InChIKey | IHDQCPOZILRQBL-UHFFFAOYSA-N |
|---|
| XLogP | -0.57 |
|---|
| TPSA | 74.60 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 78.02 |
| LogP ≤ 5 | -0.57 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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 carbon dioxide;hydrogen peroxide?
The IUPAC name of carbon dioxide;hydrogen peroxide (CID 158697719) is carbon dioxide;hydrogen peroxide.
What is the SMILES notation for carbon dioxide;hydrogen peroxide?
The canonical SMILES for carbon dioxide;hydrogen peroxide is O=C=O.OO.
What is the InChIKey of carbon dioxide;hydrogen peroxide?
The InChIKey is IHDQCPOZILRQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.H2O2/c2-1-3;1-2/h;1-2H.
What are the key properties of carbon dioxide;hydrogen peroxide?
carbon dioxide;hydrogen peroxide has a molecular weight of 78.02 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;hydrogen peroxide is sourced from PubChem (CID 158697719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).