About dihydroxy(oxo)phosphanium;ethenone
dihydroxy(oxo)phosphanium;ethenone (PubChem CID 174479647) has the molecular formula C2H4O4P+
and a molecular weight of 123.02 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;ethenone.
Molecular Properties
| Compound Name | dihydroxy(oxo)phosphanium;ethenone |
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| PubChem CID | 174479647 |
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| Molecular Formula | C2H4O4P+ |
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| Molecular Weight | 123.02 g/mol |
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| Exact Mass | 122.98 |
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| IUPAC Name | dihydroxy(oxo)phosphanium;ethenone |
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| SMILES | C=C=O.O=[P+](O)O |
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| InChI | InChI=1S/C2H2O.HO3P/c1-2-3;1-4(2)3/h1H2;(H-,1,2,3)/p+1 |
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| InChIKey | BXSFWAUPSVDZBN-UHFFFAOYSA-O |
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| XLogP | -0.37 |
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| TPSA | 74.60 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 123.02 |
| LogP ≤ 5 | -0.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dihydroxy(oxo)phosphanium;ethenone?
The IUPAC name of dihydroxy(oxo)phosphanium;ethenone (CID 174479647) is dihydroxy(oxo)phosphanium;ethenone.
What is the SMILES notation for dihydroxy(oxo)phosphanium;ethenone?
The canonical SMILES for dihydroxy(oxo)phosphanium;ethenone is C=C=O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;ethenone?
The InChIKey is BXSFWAUPSVDZBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2O.HO3P/c1-2-3;1-4(2)3/h1H2;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;ethenone?
dihydroxy(oxo)phosphanium;ethenone has a molecular weight of 123.02 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;ethenone is sourced from PubChem (CID 174479647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).