About barium(2+);iron(2+);oxygen(2-);carbonate
barium(2+);iron(2+);oxygen(2-);carbonate (PubChem CID 158757075) has the molecular formula CBaFeO4
and a molecular weight of 269.18 g/mol. Its IUPAC name is barium(2+);iron(2+);oxygen(2-);carbonate.
Molecular Properties
| Compound Name | barium(2+);iron(2+);oxygen(2-);carbonate |
|---|
| PubChem CID | 158757075 |
|---|
| Molecular Formula | CBaFeO4 |
|---|
| Molecular Weight | 269.18 g/mol |
|---|
| Exact Mass | 269.82 |
|---|
| IUPAC Name | barium(2+);iron(2+);oxygen(2-);carbonate |
|---|
| SMILES | O=C([O-])[O-].[Ba+2].[Fe+2].[O-2] |
|---|
| InChI | InChI=1S/CH2O3.Ba.Fe.O/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+2;-2/p-2 |
|---|
| InChIKey | IOEYLIIJHXPHOD-UHFFFAOYSA-L |
|---|
| XLogP | -2.95 |
|---|
| TPSA | 91.69 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 7 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 269.18 |
| LogP ≤ 5 | -2.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of barium(2+);iron(2+);oxygen(2-);carbonate?
The IUPAC name of barium(2+);iron(2+);oxygen(2-);carbonate (CID 158757075) is barium(2+);iron(2+);oxygen(2-);carbonate.
What is the SMILES notation for barium(2+);iron(2+);oxygen(2-);carbonate?
The canonical SMILES for barium(2+);iron(2+);oxygen(2-);carbonate is O=C([O-])[O-].[Ba+2].[Fe+2].[O-2].
What is the InChIKey of barium(2+);iron(2+);oxygen(2-);carbonate?
The InChIKey is IOEYLIIJHXPHOD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ba.Fe.O/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+2;-2/p-2.
What are the key properties of barium(2+);iron(2+);oxygen(2-);carbonate?
barium(2+);iron(2+);oxygen(2-);carbonate has a molecular weight of 269.18 g/mol, XLogP of -2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);iron(2+);oxygen(2-);carbonate is sourced from PubChem (CID 158757075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).