cerium(3+);oxido hydrogen carbonate

C3H3CeO12 — CID 159722511

IUPACcerium(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].[Ce+3]
InChIInChI=1S/3CH2O4.Ce/c3*2-1(3)5-4;/h3*4H,(H,2,3);/q;;;+3/p-3
InChIKeyNAFHKBCKZMZCTP-UHFFFAOYSA-K
MW371.16 g/mol
LogP-3.13
Rot. Bonds

About cerium(3+);oxido hydrogen carbonate

cerium(3+);oxido hydrogen carbonate (PubChem CID 159722511) has the molecular formula C3H3CeO12 and a molecular weight of 371.16 g/mol. Its IUPAC name is cerium(3+);oxido hydrogen carbonate.

Molecular Properties

Compound Namecerium(3+);oxido hydrogen carbonate
PubChem CID159722511
Molecular FormulaC3H3CeO12
Molecular Weight371.16 g/mol
Exact Mass370.87
IUPAC Namecerium(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].[Ce+3]
InChIInChI=1S/3CH2O4.Ce/c3*2-1(3)5-4;/h3*4H,(H,2,3);/q;;;+3/p-3
InChIKeyNAFHKBCKZMZCTP-UHFFFAOYSA-K
XLogP-3.13
TPSA208.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 5-3.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 54723990
aluminum oxido hydrogen carbonate
CID 54682965
strontium oxido hydrogen carbonate
CID 174737263
lanthanum(3+);oxido hydrogen carbonate
CID 54687071
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 159722511) 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-].O=C(O)O[O-].O=C(O)O[O-].[Ce+3].
What is the InChIKey of cerium(3+);oxido hydrogen carbonate?
The InChIKey is NAFHKBCKZMZCTP-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH2O4.Ce/c3*2-1(3)5-4;/h3*4H,(H,2,3);/q;;;+3/p-3.
What are the key properties of cerium(3+);oxido hydrogen carbonate?
cerium(3+);oxido hydrogen carbonate has a molecular weight of 371.16 g/mol, XLogP of -3.13, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);oxido hydrogen carbonate is sourced from PubChem (CID 159722511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).