cerium(3+);oxygen(2-);acetate;hydrate

C2H5CeO4 — CID 172680017

IUPACcerium(3+);oxygen(2-);acetate;hydrate
SMILESCC(=O)[O-].O.[Ce+3].[O-2]
InChIInChI=1S/C2H4O2.Ce.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+3;;-2/p-1
InChIKeyAGNCWUDKWPMGGJ-UHFFFAOYSA-M
MW233.17 g/mol
LogP-2.19
Rot. Bonds

About cerium(3+);oxygen(2-);acetate;hydrate

cerium(3+);oxygen(2-);acetate;hydrate (PubChem CID 172680017) has the molecular formula C2H5CeO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is cerium(3+);oxygen(2-);acetate;hydrate.

Molecular Properties

Compound Namecerium(3+);oxygen(2-);acetate;hydrate
PubChem CID172680017
Molecular FormulaC2H5CeO4
Molecular Weight233.17 g/mol
Exact Mass232.92
IUPAC Namecerium(3+);oxygen(2-);acetate;hydrate
SMILESCC(=O)[O-].O.[Ce+3].[O-2]
InChIInChI=1S/C2H4O2.Ce.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+3;;-2/p-1
InChIKeyAGNCWUDKWPMGGJ-UHFFFAOYSA-M
XLogP-2.19
TPSA100.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cerium(3+);oxygen(2-);acetate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cerium(3+);acetate;hexahydrate
CID 23158452
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
praseodymium(3+);triacetate;trihydrate
CID 172733090
sodium;acetate;trihydrate
CID 23665404
iron(2+);diacetate;heptahydrate
CID 173209391
zinc;diacetate;heptahydrate
CID 161319738
CID 170997536
CID 170997536
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
oxygen(2-);tris(ruthenium(3+));heptaacetate
CID 170850282
cobalt(2+);acetate;hexahydrate
CID 21479533

Frequently Asked Questions

What is the IUPAC name of cerium(3+);oxygen(2-);acetate;hydrate?
The IUPAC name of cerium(3+);oxygen(2-);acetate;hydrate (CID 172680017) is cerium(3+);oxygen(2-);acetate;hydrate.
What is the SMILES notation for cerium(3+);oxygen(2-);acetate;hydrate?
The canonical SMILES for cerium(3+);oxygen(2-);acetate;hydrate is CC(=O)[O-].O.[Ce+3].[O-2].
What is the InChIKey of cerium(3+);oxygen(2-);acetate;hydrate?
The InChIKey is AGNCWUDKWPMGGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Ce.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+3;;-2/p-1.
What are the key properties of cerium(3+);oxygen(2-);acetate;hydrate?
cerium(3+);oxygen(2-);acetate;hydrate has a molecular weight of 233.17 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);oxygen(2-);acetate;hydrate is sourced from PubChem (CID 172680017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).