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17829-82-2 molecular structure
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cerium(3+) ion triacetate

ChemBase ID: 109958
Molecular Formular: C6H9CeO6
Molecular Mass: 317.24806
Monoisotopic Mass: 316.94535101
SMILES and InChIs

SMILES:
[Ce+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Ce+3]
InChI:
InChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey:
VGBWDOLBWVJTRZ-UHFFFAOYSA-K

Cite this record

CBID:109958 http://www.chembase.cn/molecule-109958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cerium(3+) ion triacetate
IUPAC Traditional name
cerium(3+) tris(acetate ion)
cerium(3+) ion triacetate
Synonyms
CEROUS ACETATE
Cerium(III) acetate hydrate
醋酸铈(III)水合物
CAS Number
17829-82-2
206996-60-3
MDL Number
MFCD00051060
PubChem SID
162095437
PubChem CID
10826

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10826 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.54344  H Acceptors
H Donor LogD (pH = 5.5) -1.2242727 
LogD (pH = 7.4) -2.9968748  Log P -0.22334571 
Molar Refractivity 23.4808 cm3 Polarizability 4.912116 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
RTECS
AF8490000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
37/38-41 expand Show data source
R:36 expand Show data source
Safety Statements
26-37/39 expand Show data source
S:26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H318-H315-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99.995% (metals basis) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213174 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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