calcium;dioxido(dioxo)chromium;sulfuric acid

H2CaCrO8S — CID 172718284

IUPACcalcium;dioxido(dioxo)chromium;sulfuric acid
SMILESO=S(=O)(O)O.O=[Cr](=O)([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.Cr.H2O4S.4O/c;;1-5(2,3)4;;;;/h;;(H2,1,2,3,4);;;;/q+2;;;;;2*-1
InChIKeyGDSLISJGIDNGJT-UHFFFAOYSA-N
MW254.15 g/mol
LogP-3.65
Rot. Bonds

About calcium;dioxido(dioxo)chromium;sulfuric acid

calcium;dioxido(dioxo)chromium;sulfuric acid (PubChem CID 172718284) has the molecular formula H2CaCrO8S and a molecular weight of 254.15 g/mol. Its IUPAC name is calcium;dioxido(dioxo)chromium;sulfuric acid.

Molecular Properties

Compound Namecalcium;dioxido(dioxo)chromium;sulfuric acid
PubChem CID172718284
Molecular FormulaH2CaCrO8S
Molecular Weight254.15 g/mol
Exact Mass253.85
IUPAC Namecalcium;dioxido(dioxo)chromium;sulfuric acid
SMILESO=S(=O)(O)O.O=[Cr](=O)([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.Cr.H2O4S.4O/c;;1-5(2,3)4;;;;/h;;(H2,1,2,3,4);;;;/q+2;;;;;2*-1
InChIKeyGDSLISJGIDNGJT-UHFFFAOYSA-N
XLogP-3.65
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 5-3.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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dicalcium;oxygen(2-);sulfuric acid
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Frequently Asked Questions

What is the IUPAC name of calcium;dioxido(dioxo)chromium;sulfuric acid?
The IUPAC name of calcium;dioxido(dioxo)chromium;sulfuric acid (CID 172718284) is calcium;dioxido(dioxo)chromium;sulfuric acid.
What is the SMILES notation for calcium;dioxido(dioxo)chromium;sulfuric acid?
The canonical SMILES for calcium;dioxido(dioxo)chromium;sulfuric acid is O=S(=O)(O)O.O=[Cr](=O)([O-])[O-].[Ca+2].
What is the InChIKey of calcium;dioxido(dioxo)chromium;sulfuric acid?
The InChIKey is GDSLISJGIDNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Cr.H2O4S.4O/c;;1-5(2,3)4;;;;/h;;(H2,1,2,3,4);;;;/q+2;;;;;2*-1.
What are the key properties of calcium;dioxido(dioxo)chromium;sulfuric acid?
calcium;dioxido(dioxo)chromium;sulfuric acid has a molecular weight of 254.15 g/mol, XLogP of -3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(dioxo)chromium;sulfuric acid is sourced from PubChem (CID 172718284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).