About bis(nitric acid);2-phenyloxolane-3,4-diol
bis(nitric acid);2-phenyloxolane-3,4-diol (PubChem CID 88723000) has the molecular formula C10H14N2O9
and a molecular weight of 306.23 g/mol. Its IUPAC name is bis(nitric acid);2-phenyloxolane-3,4-diol.
Molecular Properties
| Compound Name | bis(nitric acid);2-phenyloxolane-3,4-diol |
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| PubChem CID | 88723000 |
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| Molecular Formula | C10H14N2O9 |
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| Molecular Weight | 306.23 g/mol |
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| Exact Mass | 306.07 |
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| IUPAC Name | bis(nitric acid);2-phenyloxolane-3,4-diol |
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| SMILES | O=[N+]([O-])O.O=[N+]([O-])O.OC1COC(c2ccccc2)C1O |
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| InChI | InChI=1S/C10H12O3.2HNO3/c11-8-6-13-10(9(8)12)7-4-2-1-3-5-7;2*2-1(3)4/h1-5,8-12H,6H2;2*(H,2,3,4) |
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| InChIKey | BIPCOOHOOQZUEV-UHFFFAOYSA-N |
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| XLogP | -0.22 |
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| TPSA | 176.43 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 306.23 |
| LogP ≤ 5 | -0.22 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(nitric acid);2-phenyloxolane-3,4-diol?
The IUPAC name of bis(nitric acid);2-phenyloxolane-3,4-diol (CID 88723000) is bis(nitric acid);2-phenyloxolane-3,4-diol.
What is the SMILES notation for bis(nitric acid);2-phenyloxolane-3,4-diol?
The canonical SMILES for bis(nitric acid);2-phenyloxolane-3,4-diol is O=[N+]([O-])O.O=[N+]([O-])O.OC1COC(c2ccccc2)C1O.
What is the InChIKey of bis(nitric acid);2-phenyloxolane-3,4-diol?
The InChIKey is BIPCOOHOOQZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.2HNO3/c11-8-6-13-10(9(8)12)7-4-2-1-3-5-7;2*2-1(3)4/h1-5,8-12H,6H2;2*(H,2,3,4).
What are the key properties of bis(nitric acid);2-phenyloxolane-3,4-diol?
bis(nitric acid);2-phenyloxolane-3,4-diol has a molecular weight of 306.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);2-phenyloxolane-3,4-diol is sourced from PubChem (CID 88723000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).