carbon dioxide

CO2 — CID 280

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IUPACcarbon dioxide
SMILESO=C=O
InChIInChI=1S/CO2/c2-1-3
InChIKeyCURLTUGMZLYLDI-UHFFFAOYSA-N
MW44.01 g/mol
LogP-0.58
Rot. Bonds

About carbon dioxide

carbon dioxide (PubChem CID 280) has the molecular formula CO2 and a molecular weight of 44.01 g/mol. Its IUPAC name is carbon dioxide.

Molecular Properties

Compound Namecarbon dioxide
PubChem CID280
Molecular FormulaCO2
Molecular Weight44.01 g/mol
Exact Mass43.99
IUPAC Namecarbon dioxide
SMILESO=C=O
InChIInChI=1S/CO2/c2-1-3
InChIKeyCURLTUGMZLYLDI-UHFFFAOYSA-N
XLogP-0.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50044.01
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Calcium Carbonate
CID 10112
Manganese carbonate
CID 11726
Cadmium carbonate (CdCO3)
CID 10564
Cobaltous carbonate
CID 10565
Lead carbonate (PbCO3)
CID 11727
Zinc Carbonate
CID 19005
Magnesium Carbonate
CID 11029
Ferrous Carbonate
CID 11248
Copper carbonate
CID 14452
Strontium carbonate
CID 15407
Nickel carbonate
CID 18746
Barium Carbonate
CID 10563

Frequently Asked Questions

What is the IUPAC name of carbon dioxide?
The IUPAC name of carbon dioxide (CID 280) is carbon dioxide.
What is the SMILES notation for carbon dioxide?
The canonical SMILES for carbon dioxide is O=C=O.
What is the InChIKey of carbon dioxide?
The InChIKey is CURLTUGMZLYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2/c2-1-3.
What are the key properties of carbon dioxide?
carbon dioxide has a molecular weight of 44.01 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide is sourced from PubChem (CID 280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).