cerium(4+);oxygen(2-);carbonate;hydrate

CH2CeO5 — CID 159747762

IUPACcerium(4+);oxygen(2-);carbonate;hydrate
SMILESO.O=C([O-])[O-].[Ce+4].[O-2]
InChIInChI=1S/CH2O3.Ce.H2O.O/c2-1(3)4;;;/h(H2,2,3,4);;1H2;/q;+4;;-2/p-2
InChIKeyNDGKGALXGQZYQF-UHFFFAOYSA-L
MW234.14 g/mol
LogP-3.39
Rot. Bonds

About cerium(4+);oxygen(2-);carbonate;hydrate

cerium(4+);oxygen(2-);carbonate;hydrate (PubChem CID 159747762) has the molecular formula CH2CeO5 and a molecular weight of 234.14 g/mol. Its IUPAC name is cerium(4+);oxygen(2-);carbonate;hydrate.

Molecular Properties

Compound Namecerium(4+);oxygen(2-);carbonate;hydrate
PubChem CID159747762
Molecular FormulaCH2CeO5
Molecular Weight234.14 g/mol
Exact Mass233.90
IUPAC Namecerium(4+);oxygen(2-);carbonate;hydrate
SMILESO.O=C([O-])[O-].[Ce+4].[O-2]
InChIInChI=1S/CH2O3.Ce.H2O.O/c2-1(3)4;;;/h(H2,2,3,4);;1H2;/q;+4;;-2/p-2
InChIKeyNDGKGALXGQZYQF-UHFFFAOYSA-L
XLogP-3.39
TPSA123.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 5-3.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cerium(4+);oxygen(2-);carbonate;hydrate?
The IUPAC name of cerium(4+);oxygen(2-);carbonate;hydrate (CID 159747762) is cerium(4+);oxygen(2-);carbonate;hydrate.
What is the SMILES notation for cerium(4+);oxygen(2-);carbonate;hydrate?
The canonical SMILES for cerium(4+);oxygen(2-);carbonate;hydrate is O.O=C([O-])[O-].[Ce+4].[O-2].
What is the InChIKey of cerium(4+);oxygen(2-);carbonate;hydrate?
The InChIKey is NDGKGALXGQZYQF-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ce.H2O.O/c2-1(3)4;;;/h(H2,2,3,4);;1H2;/q;+4;;-2/p-2.
What are the key properties of cerium(4+);oxygen(2-);carbonate;hydrate?
cerium(4+);oxygen(2-);carbonate;hydrate has a molecular weight of 234.14 g/mol, XLogP of -3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);oxygen(2-);carbonate;hydrate is sourced from PubChem (CID 159747762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).