cerium;oxalic acid;decahydrate

C2H22CeO14 — CID 175012984

IUPACcerium;oxalic acid;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C(O)C(=O)O.[Ce]
InChIInChI=1S/C2H2O4.Ce.10H2O/c3-1(4)2(5)6;;;;;;;;;;;/h(H,3,4)(H,5,6);;10*1H2
InChIKeyZCJZGJAENYNDHT-UHFFFAOYSA-N
MW410.30 g/mol
LogP-9.09
Rot. Bonds

About cerium;oxalic acid;decahydrate

cerium;oxalic acid;decahydrate (PubChem CID 175012984) has the molecular formula C2H22CeO14 and a molecular weight of 410.30 g/mol. Its IUPAC name is cerium;oxalic acid;decahydrate.

Molecular Properties

Compound Namecerium;oxalic acid;decahydrate
PubChem CID175012984
Molecular FormulaC2H22CeO14
Molecular Weight410.30 g/mol
Exact Mass410.01
IUPAC Namecerium;oxalic acid;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C(O)C(=O)O.[Ce]
InChIInChI=1S/C2H2O4.Ce.10H2O/c3-1(4)2(5)6;;;;;;;;;;;/h(H,3,4)(H,5,6);;10*1H2
InChIKeyZCJZGJAENYNDHT-UHFFFAOYSA-N
XLogP-9.09
TPSA389.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 5-9.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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oxalic acid;tantalum;hydrate
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CID 175013375
magnesium oxalic acid
CID 54611841
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CID 140553783
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CID 87427078
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Frequently Asked Questions

What is the IUPAC name of cerium;oxalic acid;decahydrate?
The IUPAC name of cerium;oxalic acid;decahydrate (CID 175012984) is cerium;oxalic acid;decahydrate.
What is the SMILES notation for cerium;oxalic acid;decahydrate?
The canonical SMILES for cerium;oxalic acid;decahydrate is O.O.O.O.O.O.O.O.O.O.O=C(O)C(=O)O.[Ce].
What is the InChIKey of cerium;oxalic acid;decahydrate?
The InChIKey is ZCJZGJAENYNDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.Ce.10H2O/c3-1(4)2(5)6;;;;;;;;;;;/h(H,3,4)(H,5,6);;10*1H2.
What are the key properties of cerium;oxalic acid;decahydrate?
cerium;oxalic acid;decahydrate has a molecular weight of 410.30 g/mol, XLogP of -9.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;oxalic acid;decahydrate is sourced from PubChem (CID 175012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).