About Carbon trioxide
Carbon trioxide (PubChem CID 520883) has the molecular formula CO3
and a molecular weight of 60.01 g/mol.
Molecular Properties
| Compound Name | Carbon trioxide |
|---|
| PubChem CID | 520883 |
|---|
| Molecular Formula | CO3 |
|---|
| Molecular Weight | 60.01 g/mol |
|---|
| Exact Mass | 59.98 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [O]C([O])=O |
|---|
| InChI | InChI=1S/CO3/c2-1(3)4 |
|---|
| InChIKey | DPFFXSPEODLYOH-UHFFFAOYSA-N |
|---|
| XLogP | -0.03 |
|---|
| TPSA | 56.87 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 4 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 60.01 |
| LogP ≤ 5 | -0.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of Carbon trioxide?
The IUPAC name of Carbon trioxide (CID 520883) is not available.
What is the SMILES notation for Carbon trioxide?
The canonical SMILES for Carbon trioxide is [O]C([O])=O.
What is the InChIKey of Carbon trioxide?
The InChIKey is DPFFXSPEODLYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/CO3/c2-1(3)4.
What are the key properties of Carbon trioxide?
Carbon trioxide has a molecular weight of 60.01 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Carbon trioxide is sourced from PubChem (CID 520883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).