cerium(3+);oxido hydrogen carbonate

CHCeO4+2 — CID 54723990

IUPACcerium(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].[Ce+3]
InChIInChI=1S/CH2O4.Ce/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1
InChIKeyFLUSSORUHHYGCM-UHFFFAOYSA-M
MW217.13 g/mol
LogP-1.04
Rot. Bonds

About cerium(3+);oxido hydrogen carbonate

cerium(3+);oxido hydrogen carbonate (PubChem CID 54723990) has the molecular formula CHCeO4+2 and a molecular weight of 217.13 g/mol. Its IUPAC name is cerium(3+);oxido hydrogen carbonate.

Molecular Properties

Compound Namecerium(3+);oxido hydrogen carbonate
PubChem CID54723990
Molecular FormulaCHCeO4+2
Molecular Weight217.13 g/mol
Exact Mass216.89
IUPAC Namecerium(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].[Ce+3]
InChIInChI=1S/CH2O4.Ce/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1
InChIKeyFLUSSORUHHYGCM-UHFFFAOYSA-M
XLogP-1.04
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

cerium(3+);oxido hydrogen carbonate
CID 159722511
aluminum oxido hydrogen carbonate
CID 54682965
lanthanum(3+);oxido hydrogen carbonate
CID 54687071
strontium oxido hydrogen carbonate
CID 174737263
magnesium;iron(3+);oxido hydrogen carbonate
CID 173050087
cobalt(2+);oxido hydrogen carbonate;hydrate
CID 175469845
bis(lanthanum(3+));oxido hydrogen carbonate;carbonate
CID 159767634
diazanium;oxido carbonate
CID 22665386
carbonic acid;ruthenium
CID 87059075
dioxouranium(2+);oxido carbonate
CID 173079564
CID 87206652
CID 87206652
carbonoperoxoic acid;iron
CID 87244357

Frequently Asked Questions

What is the IUPAC name of cerium(3+);oxido hydrogen carbonate?
The IUPAC name of cerium(3+);oxido hydrogen carbonate (CID 54723990) is cerium(3+);oxido hydrogen carbonate.
What is the SMILES notation for cerium(3+);oxido hydrogen carbonate?
The canonical SMILES for cerium(3+);oxido hydrogen carbonate is O=C(O)O[O-].[Ce+3].
What is the InChIKey of cerium(3+);oxido hydrogen carbonate?
The InChIKey is FLUSSORUHHYGCM-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O4.Ce/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1.
What are the key properties of cerium(3+);oxido hydrogen carbonate?
cerium(3+);oxido hydrogen carbonate has a molecular weight of 217.13 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);oxido hydrogen carbonate is sourced from PubChem (CID 54723990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).