cerium;sulfuric acid;nonahydrate

H20CeO13S — CID 173422966

IUPACcerium;sulfuric acid;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[Ce]
InChIInChI=1S/Ce.H2O4S.9H2O/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);9*1H2
InChIKeyKYZHORBJYRBNOF-UHFFFAOYSA-N
MW400.33 g/mol
LogP-8.08
Rot. Bonds

About cerium;sulfuric acid;nonahydrate

cerium;sulfuric acid;nonahydrate (PubChem CID 173422966) has the molecular formula H20CeO13S and a molecular weight of 400.33 g/mol. Its IUPAC name is cerium;sulfuric acid;nonahydrate.

Molecular Properties

Compound Namecerium;sulfuric acid;nonahydrate
PubChem CID173422966
Molecular FormulaH20CeO13S
Molecular Weight400.33 g/mol
Exact Mass399.97
IUPAC Namecerium;sulfuric acid;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[Ce]
InChIInChI=1S/Ce.H2O4S.9H2O/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);9*1H2
InChIKeyKYZHORBJYRBNOF-UHFFFAOYSA-N
XLogP-8.08
TPSA358.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 5-8.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cerium;sulfuric acid;nonahydrate?
The IUPAC name of cerium;sulfuric acid;nonahydrate (CID 173422966) is cerium;sulfuric acid;nonahydrate.
What is the SMILES notation for cerium;sulfuric acid;nonahydrate?
The canonical SMILES for cerium;sulfuric acid;nonahydrate is O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[Ce].
What is the InChIKey of cerium;sulfuric acid;nonahydrate?
The InChIKey is KYZHORBJYRBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.H2O4S.9H2O/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);9*1H2.
What are the key properties of cerium;sulfuric acid;nonahydrate?
cerium;sulfuric acid;nonahydrate has a molecular weight of 400.33 g/mol, XLogP of -8.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;sulfuric acid;nonahydrate is sourced from PubChem (CID 173422966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).