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54451-25-1 molecular structure
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dicerium(3+) ion hydrate tricarbonate

ChemBase ID: 139332
Molecular Formular: C3H2Ce2O10
Molecular Mass: 478.27398
Monoisotopic Mass: 477.77567226
SMILES and InChIs

SMILES:
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Ce+3].[Ce+3]
Canonical SMILES:
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.[Ce+3].[Ce+3]
InChI:
InChI=1S/3CH2O3.2Ce.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6
InChIKey:
KHSBAWXKALEJFR-UHFFFAOYSA-H

Cite this record

CBID:139332 http://www.chembase.cn/molecule-139332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicerium(3+) ion hydrate tricarbonate
IUPAC Traditional name
dicerium(3+) ion hydrate tricarbonate
Synonyms
Cerous carbonate hydrate
Cerium(III) carbonate hydrate
碳酸铈(III) 水合物
CAS Number
54451-25-1
EC Number
208-655-6
MDL Number
MFCD00149635
PubChem SID
162233580
24859514
24880700
PubChem CID
16212049

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16212049 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 31.1724 cm3 Polarizability 3.6386902 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
powder and chunks expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.9% trace metals basis expand Show data source
99.995% trace metals basis expand Show data source
Linear Formula
Ce2(CO3)3 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 325503 external link
Packaging
50, 250 g in glass bottle
Sigma Aldrich - 574007 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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