calcium;ruthenium;carbonate

CCaO3Ru — CID 87309849

IUPACcalcium;ruthenium;carbonate
SMILESO=C([O-])[O-].[Ca+2].[Ru]
InChIInChI=1S/CH2O3.Ca.Ru/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;/p-2
InChIKeyJQQYSZADRVJWFO-UHFFFAOYSA-L
MW201.16 g/mol
LogP-2.83
Rot. Bonds

About calcium;ruthenium;carbonate

calcium;ruthenium;carbonate (PubChem CID 87309849) has the molecular formula CCaO3Ru and a molecular weight of 201.16 g/mol. Its IUPAC name is calcium;ruthenium;carbonate.

Molecular Properties

Compound Namecalcium;ruthenium;carbonate
PubChem CID87309849
Molecular FormulaCCaO3Ru
Molecular Weight201.16 g/mol
Exact Mass201.85
IUPAC Namecalcium;ruthenium;carbonate
SMILESO=C([O-])[O-].[Ca+2].[Ru]
InChIInChI=1S/CH2O3.Ca.Ru/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;/p-2
InChIKeyJQQYSZADRVJWFO-UHFFFAOYSA-L
XLogP-2.83
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of calcium;ruthenium;carbonate?
The IUPAC name of calcium;ruthenium;carbonate (CID 87309849) is calcium;ruthenium;carbonate.
What is the SMILES notation for calcium;ruthenium;carbonate?
The canonical SMILES for calcium;ruthenium;carbonate is O=C([O-])[O-].[Ca+2].[Ru].
What is the InChIKey of calcium;ruthenium;carbonate?
The InChIKey is JQQYSZADRVJWFO-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ca.Ru/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;/p-2.
What are the key properties of calcium;ruthenium;carbonate?
calcium;ruthenium;carbonate has a molecular weight of 201.16 g/mol, XLogP of -2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ruthenium;carbonate is sourced from PubChem (CID 87309849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).